4-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-[[2-[[2-[[4-[(2-chloroethyldiazenyl)-(phenylmethyl)amino]-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-[[2-[[2-[[4-[(2-chloroethyldiazenyl)-(phenylmethyl)amino]-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-3-[[2-[[2-[[4-[benzyl(2-chloroethylazo)amino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxo-butanoic acid CAS Name: 4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[2-[[2-[[4-[2-chloroethylazo-(phenylmethyl)amino]-1,4-dioxobutyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[2-[[2-[[4-[benzyl-(2-chloroethyldiazenyl)amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-[(2-amino-1-benzyl-2-keto-ethyl)amino]-3-[[2-[[2-[[4-[benzyl(2-chloroethylazo)amino]-4-keto-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-(methylthio)butanoyl]amino]-4-keto-butyric acid Formula: C42H50ClN9O8S MolecularWeight: 876.4199

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CCC(=O)N(CC4=CC=CC=C4)N=NCCCl

Isomeric SMILES

CSCCC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CCC(=O)N(CC4=CC=CC=C4)N=NCCCl

InChI

InChI=1S/C42H50ClN9O8S/c1-61-21-18-32(40(58)50-35(24-38(55)56)42(60)49-33(39(44)57)22-27-10-4-2-5-11-27)48-41(59)34(23-29-25-45-31-15-9-8-14-30(29)31)47-36(53)16-17-37(54)52(51-46-20-19-43)26-28-12-6-3-7-13-28/h2-15,25,32-35,45H,16-24,26H2,1H3,(H2,44,57)(H,47,53)(H,48,59)(H,49,60)(H,50,58)(H,55,56)