2-[[2-[[2-[[2-[[2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-[[2-[[2-[[2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-phenyl-propanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxo-3-phenylpropyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-amino-4-(methylthio)butanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-(methylthio)butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-phenyl-propanoyl]amino]glutaric acid Formula: C41H54N8O12S2 MolecularWeight: 915.04386

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCC(=O)O)C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCC(=O)O)C(=O)O)N

InChI

InChI=1S/C41H54N8O12S2/c1-62-16-14-26(42)36(55)44-22-33(50)45-31(19-24-21-43-27-11-7-6-10-25(24)27)39(58)46-28(15-17-63-2)37(56)49-32(20-35(53)54)40(59)48-30(18-23-8-4-3-5-9-23)38(57)47-29(41(60)61)12-13-34(51)52/h3-11,21,26,28-32,43H,12-20,22,42H2,1-2H3,(H,44,55)(H,45,50)(H,46,58)(H,47,57)(H,48,59)(H,49,56)(H,51,52)(H,53,54)(H,60,61)