<common-name>(5s,8r,14r,17r,20r,23r,26r,29r,32r,35r)-20,35-bis(4-aminobutyl)-32-(2-amino-2-oxoethyl)-38-[[2-[[(2r)-2-aminopropanoyl]amino]acetyl]amino]-14,26,29-tribenzyl-11-(1-hydroxyethyl)-17-[(1s)-1-hydroxyethyl]-8-(hydroxymethyl)-23-(1h-indol-3-ylmethyl)-7,10,13,16,19,22,25,28,31,34,37-undecaoxo-1,2-dithia-6,9,12,15,18,21,24,27,30,33,36-undecazacyclononatriacontane-5-carboxylic acid</common-name> <description>(5s,8r,14r,17r,20r,23r,26r,29r,32r,35r)-20,35-bis(4-aminobutyl)-32-(2-amino-2-oxoethyl)-38-[[2-[[(2r)-2-aminopropanoyl]amino]acetyl]amino]-14,26,29-tribenzyl-11-(1-hydroxyethyl)-17-[(1s)-1-hydroxyethyl]-8-(hydroxymethyl)-23-(1h-indol-3-ylmethyl)-7,10,13,16,19,22,25,28,31,34,37-undecaoxo-1,2-dithia-6,9,12,15,18,21,24,27,30,33,36-undecazacyclononatriacontane-5-carboxylic acid has the chemical formula C77H106N18O19S2. With an average molecular weight of 1,652 g/mol, (5s,8r,14r,17r,20r,23r,26r,29r,32r,35r)-20,35-bis(4-aminobutyl)-32-(2-amino-2-oxoethyl)-38-[[2-[[(2r)-2-aminopropanoyl]amino]acetyl]amino]-14,26,29-tribenzyl-11-(1-hydroxyethyl)-17-[(1s)-1-hydroxyethyl]-8-(hydroxymethyl)-23-(1h-indol-3-ylmethyl)-7,10,13,16,19,22,25,28,31,34,37-undecaoxo-1,2-dithia-6,9,12,15,18,21,24,27,30,33,36-undecazacyclononatriacontane-5-carboxylic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>53481605</pubchem-id> <chemical-formula>C77H106N18O19S2</chemical-formula> <weight>1651.9</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-09-01T10:10:48Z</created-at> <updated-at type="dateTime">2026-09-01T10:10:48Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CCSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(=O)N)CCCCN)NC(=O)CNC(=O)C(C)N)C(=O)O)CO)C(C)O)CC6=CC=CC=C6)O</moldb-smiles> <moldb-formula>C77H106N18O19S2</moldb-formula> <moldb-inchi>InChI=1S/C77H106N18O19S2/c1-42(80)65(101)83-39-62(100)84-60-41-116-115-32-29-53(77(113)114)87-73(109)59(40-96)93-76(112)64(44(3)98)95-72(108)56(35-47-23-11-6-12-24-47)92-75(111)63(43(2)97)94-67(103)52(28-16-18-31-79)85-70(106)57(36-48-38-82-50-26-14-13-25-49(48)50)90-69(105)55(34-46-21-9-5-10-22-46)88-68(104)54(33-45-19-7-4-8-20-45)89-71(107)58(37-61(81)99)91-66(102)51(86-74(60)110)27-15-17-30-78/h4-14,19-26,38,42-44,51-60,63-64,82,96-98H,15-18,27-37,39-41,78-80H2,1-3H3,(H2,81,99)(H,83,101)(H,84,100)(H,85,106)(H,86,110)(H,87,109)(H,88,104)(H,89,107)(H,90,105)(H,91,102)(H,92,111)(H,93,112)(H,94,103)(H,95,108)(H,113,114)/t42-,43+,44?,51-,52-,53+,54-,55-,56-,57-,58-,59-,60?,63-,64?/m1/s1</moldb-inchi> <moldb-inchikey>KTEPWBJBSMMZIC-LJTSQLRWSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1650.732306</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM357211</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(5s,8r,14r,17r,20r,23r,26r,29r,32r,35r)-20,35-bis(4-aminobutyl)-32-(2-amino-2-oxoethyl)-38-[[2-[[(2r)-2-aminopropanoyl]amino]acetyl]amino]-14,26,29-tribenzyl-11-(1-hydroxyethyl)-17-[(1s)-1-hydroxyethyl]-8-(hydroxymethyl)-23-(1h-indol-3-ylmethyl)-7,10,13,16,19,22,25,28,31,34,37-undecaoxo-1,2-dithia-6,9,12,15,18,21,24,27,30,33,36-undecazacyclononatriacontane-5-carboxylic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic Polymers</superklass> <klass>Polypeptides</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0311440</sync-id> <structure-inchikey>KTEPWBJBSMMZIC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000004000000000800000001100080800000000000004000002100000000000003000040020008200001028000054000000000010000020002000000004000000000040000400000000000000000020000010010000000000000000000000002400030008088002000000000000200000020000000400000400000a0010002000004020002080008020000000008000100080010000001000080000000000000000000400000404000008000000000001008000800000002002200c010001000000050000000100000000000000000000400000104000100220000001000000000208008000000041800020010410004000100000000000800008000000</structure-fingerprint> <structure-pattern-fingerprint>751cc4f08f36e678c9ec5b658fb8b28b9a1115ba8597a0f48d3f62f4cb34eacc6e6201d41384a46cc70b596881cd30201de20bb4e08f7235136f7d7993eb4016c7119cc95b929c42d29013e21af723432844c5d575619fb7535ed56754335fd7cda8652f286c723161acd488dff4024c78c6b2f2b30de5a6b15b2eeb43d15f9770cc3b194ef8a26a1e170254cf2e46e83b7dda724dc39fcb70370ca562c447c443df119319b2e2b20ac44d680f7e3d174ad10ec3a94d0ac8f8b44ab0cce35a52bf1510b495db533b5fc0e7e677574a9b0c312d1423747873cd715e8c6e01030c9b384db4188b1b3dd36c2451dd56a08e4a541735b4e206af531b9f82da5a0b07</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��t��y��€��`��`��`��(��(��h��`��(��(��h��`��(��(��h��`��(��(��h��`��`��`�� `��`��(��(��h��`��(��(��h��`��(��(��h��`��(��(��h��`��(��(��h��`��(��(��h��`��(��(��h��`��`��`��`��`��`��@(��@h��@8��@(��@h��@h��@h��@h��@(��`��@(��@h��@h��@h��@h��@h��`��@(��@h��@h��@h��@h��@h��`��(��(��h��`��`��`��`��`��h��(��(��`��h��(��(��`��`��`��(��(��h��`��`��`��`��`��`��@(��@h��@h��@h��@h��@h��`��(�� (�� (�� (�� (�� (�� !�!"(�!# #$�$%�%&(�%' '(�()�)*(�)+ +,�,-�-.(�-/ /0�01�12(�13 04�45�56�67�78�,9�9:�:;h�;<h�<=h�=>h�>?h�?@h�@Ah�ABh�(C�CD�DEh�EFh�FGh�GHh�HIh�$J�JK�KLh�LMh�MNh�NOh�OPh� Q�QR�RS(�RT �U�UV�VW�WX�XY��Z�Z[ [\(�[]�]^�^_ _`(�_a�ab�ac��d�de(�df �g�gh� i�ij�ik��l�lm�mnh�noh�oph�pqh�qrh��s�3��B:h�B=h�IDh�PKh�rmh�B��'�� !#$%'()+,-/013�;:B=<�>?@AB=�EFGHID�LMNOPK�nopqrm��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:58:41Z</structure-indexed-at> </compound>

361318 <common-name>(5s,8r,14r,17r,20r,23r,26r,29r,32r,35r)-20,35-bis(4-aminobutyl)-32-(2-amino-2-oxoethyl)-38-[[2-[[(2r)-2-aminopropanoyl]amino]acetyl]amino]-14,26,29-tribenzyl-11-(1-hydroxyethyl)-17-[(1s)-1-hydroxyethyl]-8-(hydroxymethyl)-23-(1h-indol-3-ylmethyl)-7,10,13,16,19,22,25,28,31,34,37-undecaoxo-1,2-dithia-6,9,12,15,18,21,24,27,30,33,36-undecazacyclononatriacontane-5-carboxylic acid</common-name> <description>(5s,8r,14r,17r,20r,23r,26r,29r,32r,35r)-20,35-bis(4-aminobutyl)-32-(2-amino-2-oxoethyl)-38-[[2-[[(2r)-2-aminopropanoyl]amino]acetyl]amino]-14,26,29-tribenzyl-11-(1-hydroxyethyl)-17-[(1s)-1-hydroxyethyl]-8-(hydroxymethyl)-23-(1h-indol-3-ylmethyl)-7,10,13,16,19,22,25,28,31,34,37-undecaoxo-1,2-dithia-6,9,12,15,18,21,24,27,30,33,36-undecazacyclononatriacontane-5-carboxylic acid has the chemical formula C77H106N18O19S2. With an average molecular weight of 1,652 g/mol, (5s,8r,14r,17r,20r,23r,26r,29r,32r,35r)-20,35-bis(4-aminobutyl)-32-(2-amino-2-oxoethyl)-38-[[2-[[(2r)-2-aminopropanoyl]amino]acetyl]amino]-14,26,29-tribenzyl-11-(1-hydroxyethyl)-17-[(1s)-1-hydroxyethyl]-8-(hydroxymethyl)-23-(1h-indol-3-ylmethyl)-7,10,13,16,19,22,25,28,31,34,37-undecaoxo-1,2-dithia-6,9,12,15,18,21,24,27,30,33,36-undecazacyclononatriacontane-5-carboxylic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>53481605</pubchem-id> <chemical-formula>C77H106N18O19S2</chemical-formula> <weight>1651.9</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-09-01T10:10:48Z</created-at> <updated-at type="dateTime">2026-09-01T10:10:48Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CCSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(=O)N)CCCCN)NC(=O)CNC(=O)C(C)N)C(=O)O)CO)C(C)O)CC6=CC=CC=C6)O</moldb-smiles> <moldb-formula>C77H106N18O19S2</moldb-formula> <moldb-inchi>InChI=1S/C77H106N18O19S2/c1-42(80)65(101)83-39-62(100)84-60-41-116-115-32-29-53(77(113)114)87-73(109)59(40-96)93-76(112)64(44(3)98)95-72(108)56(35-47-23-11-6-12-24-47)92-75(111)63(43(2)97)94-67(103)52(28-16-18-31-79)85-70(106)57(36-48-38-82-50-26-14-13-25-49(48)50)90-69(105)55(34-46-21-9-5-10-22-46)88-68(104)54(33-45-19-7-4-8-20-45)89-71(107)58(37-61(81)99)91-66(102)51(86-74(60)110)27-15-17-30-78/h4-14,19-26,38,42-44,51-60,63-64,82,96-98H,15-18,27-37,39-41,78-80H2,1-3H3,(H2,81,99)(H,83,101)(H,84,100)(H,85,106)(H,86,110)(H,87,109)(H,88,104)(H,89,107)(H,90,105)(H,91,102)(H,92,111)(H,93,112)(H,94,103)(H,95,108)(H,113,114)/t42-,43+,44?,51-,52-,53+,54-,55-,56-,57-,58-,59-,60?,63-,64?/m1/s1</moldb-inchi> <moldb-inchikey>KTEPWBJBSMMZIC-LJTSQLRWSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1650.732306</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM357211</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(5s,8r,14r,17r,20r,23r,26r,29r,32r,35r)-20,35-bis(4-aminobutyl)-32-(2-amino-2-oxoethyl)-38-[[2-[[(2r)-2-aminopropanoyl]amino]acetyl]amino]-14,26,29-tribenzyl-11-(1-hydroxyethyl)-17-[(1s)-1-hydroxyethyl]-8-(hydroxymethyl)-23-(1h-indol-3-ylmethyl)-7,10,13,16,19,22,25,28,31,34,37-undecaoxo-1,2-dithia-6,9,12,15,18,21,24,27,30,33,36-undecazacyclononatriacontane-5-carboxylic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic Polymers</superklass> <klass>Polypeptides</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0311440</sync-id> <structure-inchikey>KTEPWBJBSMMZIC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000004000000000800000001100080800000000000004000002100000000000003000040020008200001028000054000000000010000020002000000004000000000040000400000000000000000020000010010000000000000000000000002400030008088002000000000000200000020000000400000400000a0010002000004020002080008020000000008000100080010000001000080000000000000000000400000404000008000000000001008000800000002002200c010001000000050000000100000000000000000000400000104000100220000001000000000208008000000041800020010410004000100000000000800008000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��t��y��€��`��`��`��(��(��h��`��(��(��h��`��(��(��h��`��(��(��h��`��`��`�� `��`��(��(��h��`��(��(��h��`��(��(��h��`��(��(��h��`��(��(��h��`��(��(��h��`��(��(��h��`��`��`��`��`��`��@(��@h��@8��@(��@h��@h��@h��@h��@(��`��@(��@h��@h��@h��@h��@h��`��@(��@h��@h��@h��@h��@h��`��(��(��h��`��`��`��`��`��h��(��(��`��h��(��(��`��`��`��(��(��h��`��`��`��`��`��`��@(��@h��@h��@h��@h��@h��`��(�� (�� (�� (�� (�� (�� !�!"(�!# #$�$%�%&(�%' '(�()�)*(�)+ +,�,-�-.(�-/ /0�01�12(�13 04�45�56�67�78�,9�9:�:;h�;<h�<=h�=>h�>?h�?@h�@Ah�ABh�(C�CD�DEh�EFh�FGh�GHh�HIh�$J�JK�KLh�LMh�MNh�NOh�OPh� Q�QR�RS(�RT �U�UV�VW�WX�XY��Z�Z[ [\(�[]�]^�^_ _`(�_a�ab�ac��d�de(�df �g�gh� i�ij�ik��l�lm�mnh�noh�oph�pqh�qrh��s�3��B:h�B=h�IDh�PKh�rmh�B��'�� !#$%'()+,-/013�;:B=<�>?@AB=�EFGHID�LMNOPK�nopqrm��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:58:41Z</structure-indexed-at> </compound>