<common-name>2-[[(2s)-1-[(2s)-5-(diaminomethylideneamino)-2-[[(2s)-2-[[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]acetyl]amino]-4-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid</common-name> <description>2-[[(2s)-1-[(2s)-5-(diaminomethylideneamino)-2-[[(2s)-2-[[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]acetyl]amino]-4-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid has the formula C55H74N16O14. With an average molecular weight of 1,183 g/mol, 2-[[(2s)-1-[(2s)-5-(diaminomethylideneamino)-2-[[(2s)-2-[[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]acetyl]amino]-4-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid is a heavy molecule.</description> <cas>35263-73-1</cas> <pubchem-id>3081473</pubchem-id> <chemical-formula>C55H74N16O14</chemical-formula> <weight>1183.3</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">2026-09-01T07:19:03Z</created-at> <updated-at type="dateTime">2026-09-01T07:19:03Z</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)CNC(=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>C55H74N16O14</moldb-formula> <moldb-inchi>InChI=1S/C55H74N16O14/c1-29(2)19-38(49(80)66-37(9-5-17-59-55(56)57)54(85)71-18-6-10-43(71)53(84)62-26-46(76)77)65-45(75)25-61-47(78)39(20-30-11-13-33(73)14-12-30)67-52(83)42(27-72)70-50(81)40(21-31-23-60-35-8-4-3-7-34(31)35)68-51(82)41(22-32-24-58-28-63-32)69-48(79)36-15-16-44(74)64-36/h3-4,7-8,11-14,23-24,28-29,36-43,60,72-73H,5-6,9-10,15-22,25-27H2,1-2H3,(H,58,63)(H,61,78)(H,62,84)(H,64,74)(H,65,75)(H,66,80)(H,67,83)(H,68,82)(H,69,79)(H,70,81)(H,76,77)(H4,56,57,59)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1</moldb-inchi> <moldb-inchikey>IGACZQNUZMBGFX-AQJXLSMYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1182.557041</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1.8</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>CHEM355200</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)-5-(diaminomethylideneamino)-2-[[(2s)-2-[[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]acetyl]amino]-4-methylpentanoyl]amino]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>Organic compounds</kingdom> <superklass>Organic Polymers</superklass> <klass>Polypeptides</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0309521</sync-id> <structure-inchikey>IGACZQNUZMBGFX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000004000000001c002000805000808810000040008440000020000200000000010000402200080100120280020060000000000000200400000208000000000100000000004000000000000800000a000000080400000400600904001000000000203000000040040400010000800000003010000001004200000000010080000004000000080000220000000008000100000010000000000000100000000000000400400000404000008004000000000408000000000a0000000000001000000000500000031008000000000000000048000001000006082300000210000000000000001000040410010000104020042000000200000000a4080000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��U��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�*+h�+,h�*- %.�./ /0(�/1�12�23�14�45 56(�57�78�89�9:h�:;h�;<h�<=h�=>h�>?h�?@h�@Ah�7B�BC CD(�CE�EF�FG�GHh�HIh�IJh�JKh�EL�LM MN(�MO�OP�PQ�QR�RS(�RT ��,'h�A9h�A<h�KGh�TO�B��()*+,'�:9A<;�=>?@A<�HGKJI�POTRQ��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:56:50Z</structure-indexed-at> </compound>

359307 <common-name>2-[[(2s)-1-[(2s)-5-(diaminomethylideneamino)-2-[[(2s)-2-[[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]acetyl]amino]-4-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid</common-name> <description>2-[[(2s)-1-[(2s)-5-(diaminomethylideneamino)-2-[[(2s)-2-[[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]acetyl]amino]-4-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid has the formula C55H74N16O14. With an average molecular weight of 1,183 g/mol, 2-[[(2s)-1-[(2s)-5-(diaminomethylideneamino)-2-[[(2s)-2-[[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]acetyl]amino]-4-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid is a heavy molecule.</description> <cas>35263-73-1</cas> <pubchem-id>3081473</pubchem-id> <chemical-formula>C55H74N16O14</chemical-formula> <weight>1183.3</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">2026-09-01T07:19:03Z</created-at> <updated-at type="dateTime">2026-09-01T07:19:03Z</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)CNC(=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>C55H74N16O14</moldb-formula> <moldb-inchi>InChI=1S/C55H74N16O14/c1-29(2)19-38(49(80)66-37(9-5-17-59-55(56)57)54(85)71-18-6-10-43(71)53(84)62-26-46(76)77)65-45(75)25-61-47(78)39(20-30-11-13-33(73)14-12-30)67-52(83)42(27-72)70-50(81)40(21-31-23-60-35-8-4-3-7-34(31)35)68-51(82)41(22-32-24-58-28-63-32)69-48(79)36-15-16-44(74)64-36/h3-4,7-8,11-14,23-24,28-29,36-43,60,72-73H,5-6,9-10,15-22,25-27H2,1-2H3,(H,58,63)(H,61,78)(H,62,84)(H,64,74)(H,65,75)(H,66,80)(H,67,83)(H,68,82)(H,69,79)(H,70,81)(H,76,77)(H4,56,57,59)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1</moldb-inchi> <moldb-inchikey>IGACZQNUZMBGFX-AQJXLSMYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1182.557041</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1.8</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>CHEM355200</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)-5-(diaminomethylideneamino)-2-[[(2s)-2-[[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]acetyl]amino]-4-methylpentanoyl]amino]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>Organic compounds</kingdom> <superklass>Organic Polymers</superklass> <klass>Polypeptides</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0309521</sync-id> <structure-inchikey>IGACZQNUZMBGFX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000004000000001c002000805000808810000040008440000020000200000000010000402200080100120280020060000000000000200400000208000000000100000000004000000000000800000a000000080400000400600904001000000000203000000040040400010000800000003010000001004200000000010080000004000000080000220000000008000100000010000000000000100000000000000400400000404000008004000000000408000000000a0000000000001000000000500000031008000000000000000048000001000006082300000210000000000000001000040410010000104020042000000200000000a4080000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��U��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�*+h�+,h�*- %.�./ /0(�/1�12�23�14�45 56(�57�78�89�9:h�:;h�;<h�<=h�=>h�>?h�?@h�@Ah�7B�BC CD(�CE�EF�FG�GHh�HIh�IJh�JKh�EL�LM MN(�MO�OP�PQ�QR�RS(�RT ��,'h�A9h�A<h�KGh�TO�B��()*+,'�:9A<;�=>?@A<�HGKJI�POTRQ��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:56:50Z</structure-indexed-at> </compound>