2-[[2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-N-[5-[bis(azanyl)methylideneamino]-1-[2-[3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-3-oxidanylidene-propanoyl]pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]-4-methyl-pentanamide

Systemtic Name: 2-[[2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-N-[5-[bis(azanyl)methylideneamino]-1-[2-[3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-3-oxidanylidene-propanoyl]pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]-4-methyl-pentanamide Openeye Name: 2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-N-[1-[2-[3-(2,5-dioxopyrrolidin-1-yl)-3-oxo-propanoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]-4-methyl-pentanamide CAS Name: 2-[[2-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-N-[5-(diaminomethylideneamino)-1-[2-[3-(2,5-dioxo-1-pyrrolidinyl)-1,3-dioxopropyl]-1-pyrrolidinyl]-1-oxopentan-2-yl]-4-methylpentanamide IUPAC Name: 2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-N-[5-(diaminomethylideneamino)-1-[2-[3-(2,5-dioxopyrrolidin-1-yl)-3-oxopropanoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]-4-methylpentanamide Traditional Name: 2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-N-[4-guanidino-1-[2-(3-keto-3-succinimido-propanoyl)pyrrolidine-1-carbonyl]butyl]-4-methyl-valeramide Formula: C38H56N10O12 MolecularWeight: 844.91104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)CC(=O)N2C(=O)CCC2=O)NC(=O)C(CO)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CO)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)CC(=O)N2C(=O)CCC2=O)NC(=O)C(CO)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CO)N

InChI

InChI=1S/C38H56N10O12/c1-20(2)15-25(45-36(59)27(19-50)46-35(58)26(44-33(56)23(39)18-49)16-21-7-9-22(51)10-8-21)34(57)43-24(5-3-13-42-38(40)41)37(60)47-14-4-6-28(47)29(52)17-32(55)48-30(53)11-12-31(48)54/h7-10,20,23-28,49-51H,3-6,11-19,39H2,1-2H3,(H,43,57)(H,44,56)(H,45,59)(H,46,58)(H4,40,41,42)