224502 <common-name>3-[(2-amino-3-methylbutanoyl)amino]-4-[[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-4-[2-[[1-(carboxymethylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-4-oxobutanoic acid</common-name> <description>3-[(2-amino-3-methylbutanoyl)amino]-4-[[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-4-[2-[[1-(carboxymethylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-4-oxobutanoic acid belongs to the polypeptides, a class of organic polymers within the organic compounds. With an average molecular weight of 1,299 g/mol, 3-[(2-amino-3-methylbutanoyl)amino]-4-[[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-4-[2-[[1-(carboxymethylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-4-oxobutanoic acid is a heavy molecule. Its chemical formula is C55H78N16O17S2.</description> <cas>100930-18-5</cas> <pubchem-id>25081413</pubchem-id> <chemical-formula>C55H78N16O17S2</chemical-formula> <weight>1299.4</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">2026-08-22T19:35:45Z</created-at> <updated-at type="dateTime">2026-08-22T19:35:45Z</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 nil="true"/> <moldb-formula>C55H78N16O17S2</moldb-formula> <moldb-inchi>InChI=1S/C55H78N16O17S2/c1-27(2)44(58)53(87)68-36(23-42(75)76)50(84)69-37-25-89-90-26-38(54(88)71-19-7-11-39(71)52(86)64-31(10-6-18-61-55(59)60)45(79)62-24-43(77)78)70-49(83)35(22-41(57)74)67-46(80)32(16-17-40(56)73)63-47(81)33(20-28-8-4-3-5-9-28)65-48(82)34(66-51(37)85)21-29-12-14-30(72)15-13-29/h3-5,8-9,12-15,27,31-39,44,72H,6-7,10-11,16-26,58H2,1-2H3,(H2,56,73)(H2,57,74)(H,62,79)(H,63,81)(H,64,86)(H,65,82)(H,66,85)(H,67,80)(H,68,87)(H,69,84)(H,70,83)(H,75,76)(H,77,78)(H4,59,60,61)</moldb-inchi> <moldb-inchikey>PRWNILGOKADWST-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">1299.4</moldb-average-mass> <moldb-mono-mass type="decimal">1298.517227</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-6.9</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>CHEM220395</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>3-[(2-amino-3-methylbutanoyl)amino]-4-[[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-4-[2-[[1-(carboxymethylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-4-oxobutanoic 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">0</paper-count> <sync-id>CED0187865</sync-id> <structure-inchikey nil="true"/> <structure-fingerprint nil="true"/> <structure-pattern-fingerprint nil="true"/> <structure-pickle type="binary" nil="true" encoding="base64"/> <structure-indexed-at type="dateTime" nil="true"/> </compound>