<common-name>2-[[(2s)-1-[(2s)-2-[[(2s)-2-[[(2r)-6-amino-2-[[(2s)-2-[[(2s)-3-hydroxy-2-[[(2s)-2-[[(2s)-3-(1h-imidazol-5-yl)-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid</common-name> <description>2-[[(2s)-1-[(2s)-2-[[(2s)-2-[[(2r)-6-amino-2-[[(2s)-2-[[(2s)-3-hydroxy-2-[[(2s)-2-[[(2s)-3-(1h-imidazol-5-yl)-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid has the chemical formula C59H83N17O14. With an average molecular weight of 1,254 g/mol, 2-[[(2s)-1-[(2s)-2-[[(2s)-2-[[(2r)-6-amino-2-[[(2s)-2-[[(2s)-3-hydroxy-2-[[(2s)-2-[[(2s)-3-(1h-imidazol-5-yl)-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>131851303</pubchem-id> <chemical-formula>C59H83N17O14</chemical-formula> <weight>1254.4</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">2026-09-01T07:39:11Z</created-at> <updated-at type="dateTime">2026-09-01T07:39:11Z</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(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6</moldb-smiles> <moldb-formula>C59H83N17O14</moldb-formula> <moldb-inchi>InChI=1S/C59H83N17O14/c1-32(2)23-42(52(84)70-41(12-7-21-64-59(61)62)58(90)76-22-8-13-47(76)57(89)66-29-49(80)81)71-50(82)39(11-5-6-20-60)69-53(85)43(24-33-14-16-36(78)17-15-33)72-56(88)46(30-77)75-54(86)44(25-34-27-65-38-10-4-3-9-37(34)38)73-55(87)45(26-35-28-63-31-67-35)74-51(83)40-18-19-48(79)68-40/h3-4,9-10,14-17,27-28,31-32,39-47,65,77-78H,5-8,11-13,18-26,29-30,60H2,1-2H3,(H,63,67)(H,66,89)(H,68,79)(H,69,85)(H,70,84)(H,71,82)(H,72,88)(H,73,87)(H,74,83)(H,75,86)(H,80,81)(H4,61,62,64)/t39-,40+,41+,42+,43+,44+,45+,46+,47+/m1/s1</moldb-inchi> <moldb-inchikey>JLPGUTVGFAQPNX-OBCLEYQXSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1253.63054</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-3.9</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>CHEM355401</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>2-[[(2s)-1-[(2s)-2-[[(2s)-2-[[(2r)-6-amino-2-[[(2s)-2-[[(2s)-3-hydroxy-2-[[(2s)-2-[[(2s)-3-(1h-imidazol-5-yl)-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]acetic 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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0309720</sync-id> <structure-inchikey>JLPGUTVGFAQPNX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000001c002000805000808810000000008440000020000200000000010000402200080100120280020060000000000000200400000208000000000100000000004000000000000800000a000000080400000400600904001000000000203000000040000400000000800000003010000001004240000000010080000004000002080000220000000008000100000010000000000000100000010000000400400000404000008004000000000408000000000a000000004000100000000050000003100a000000000000000048000000000006082300000210000000000000081000040410010000104020042000000200000000a4080000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��Z��_��€��`��`��`��`��`��(��(��h��`��`��`��`��(��(��h��h��(��(��(��`��`��`��`��(��(��h��`��(��(��h��h��(��(��`��`��`��`��`��`��h��(��(��`��`��@(��@h��@h��@(��@h��@h��h��h��(��(��`��`��`��h��(��(��`��`��@(��@h��@8��@(��@h��@h��@h��@h��@(��h��(��(��`��`��@(��@h��@(��@h��@8��h��(��(��`��`��`��(��(��h��(�� (� � � ��(�� (�� (�� (��!�!"�"#�#$�$%�%&�!'�'( ()(�(*�*+�+,�,-h�-.h�./h�/0h�01h�/2 *3�34 45(�46�67�78�69�9: :;(�:<�<=�=>�>?h�?@h�@Ah�ABh�BCh�CDh�DEh�EFh�<G�GH HI(�HJ�JK�KL�LMh�MNh�NOh�OPh�JQ�QR RS(�RT�TU�UV�VW�WX(�WY ��1,h�F>h�FAh�PLh�YT�B��-./01,�?>FA@�BCDEFA�MLPON�UTYWV��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:57:01Z</structure-indexed-at> </compound>

359508 <common-name>2-[[(2s)-1-[(2s)-2-[[(2s)-2-[[(2r)-6-amino-2-[[(2s)-2-[[(2s)-3-hydroxy-2-[[(2s)-2-[[(2s)-3-(1h-imidazol-5-yl)-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid</common-name> <description>2-[[(2s)-1-[(2s)-2-[[(2s)-2-[[(2r)-6-amino-2-[[(2s)-2-[[(2s)-3-hydroxy-2-[[(2s)-2-[[(2s)-3-(1h-imidazol-5-yl)-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid has the chemical formula C59H83N17O14. With an average molecular weight of 1,254 g/mol, 2-[[(2s)-1-[(2s)-2-[[(2s)-2-[[(2r)-6-amino-2-[[(2s)-2-[[(2s)-3-hydroxy-2-[[(2s)-2-[[(2s)-3-(1h-imidazol-5-yl)-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>131851303</pubchem-id> <chemical-formula>C59H83N17O14</chemical-formula> <weight>1254.4</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">2026-09-01T07:39:11Z</created-at> <updated-at type="dateTime">2026-09-01T07:39:11Z</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(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6</moldb-smiles> <moldb-formula>C59H83N17O14</moldb-formula> <moldb-inchi>InChI=1S/C59H83N17O14/c1-32(2)23-42(52(84)70-41(12-7-21-64-59(61)62)58(90)76-22-8-13-47(76)57(89)66-29-49(80)81)71-50(82)39(11-5-6-20-60)69-53(85)43(24-33-14-16-36(78)17-15-33)72-56(88)46(30-77)75-54(86)44(25-34-27-65-38-10-4-3-9-37(34)38)73-55(87)45(26-35-28-63-31-67-35)74-51(83)40-18-19-48(79)68-40/h3-4,9-10,14-17,27-28,31-32,39-47,65,77-78H,5-8,11-13,18-26,29-30,60H2,1-2H3,(H,63,67)(H,66,89)(H,68,79)(H,69,85)(H,70,84)(H,71,82)(H,72,88)(H,73,87)(H,74,83)(H,75,86)(H,80,81)(H4,61,62,64)/t39-,40+,41+,42+,43+,44+,45+,46+,47+/m1/s1</moldb-inchi> <moldb-inchikey>JLPGUTVGFAQPNX-OBCLEYQXSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1253.63054</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-3.9</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>CHEM355401</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>2-[[(2s)-1-[(2s)-2-[[(2s)-2-[[(2r)-6-amino-2-[[(2s)-2-[[(2s)-3-hydroxy-2-[[(2s)-2-[[(2s)-3-(1h-imidazol-5-yl)-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]acetic 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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0309720</sync-id> <structure-inchikey>JLPGUTVGFAQPNX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000001c002000805000808810000000008440000020000200000000010000402200080100120280020060000000000000200400000208000000000100000000004000000000000800000a000000080400000400600904001000000000203000000040000400000000800000003010000001004240000000010080000004000002080000220000000008000100000010000000000000100000010000000400400000404000008004000000000408000000000a000000004000100000000050000003100a000000000000000048000000000006082300000210000000000000081000040410010000104020042000000200000000a4080000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��Z��_��€��`��`��`��`��`��(��(��h��`��`��`��`��(��(��h��h��(��(��(��`��`��`��`��(��(��h��`��(��(��h��h��(��(��`��`��`��`��`��`��h��(��(��`��`��@(��@h��@h��@(��@h��@h��h��h��(��(��`��`��`��h��(��(��`��`��@(��@h��@8��@(��@h��@h��@h��@h��@(��h��(��(��`��`��@(��@h��@(��@h��@8��h��(��(��`��`��`��(��(��h��(�� (� � � ��(�� (�� (�� (��!�!"�"#�#$�$%�%&�!'�'( ()(�(*�*+�+,�,-h�-.h�./h�/0h�01h�/2 *3�34 45(�46�67�78�69�9: :;(�:<�<=�=>�>?h�?@h�@Ah�ABh�BCh�CDh�DEh�EFh�<G�GH HI(�HJ�JK�KL�LMh�MNh�NOh�OPh�JQ�QR RS(�RT�TU�UV�VW�WX(�WY ��1,h�F>h�FAh�PLh�YT�B��-./01,�?>FA@�BCDEFA�MLPON�UTYWV��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:57:01Z</structure-indexed-at> </compound>