3-[[2-[[3-(1H-indol-3-yl)-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxidanylidene-4-(phenethylamino)butanoic acid

Systemtic Name: 3-[[2-[[3-(1H-indol-3-yl)-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxidanylidene-4-(phenethylamino)butanoic acid Openeye Name: 3-[[2-[[2-[(4-hydroxy-4-oxo-butanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxo-4-(phenethylamino)butanoic acid CAS Name: 3-[[2-[[2-[(4-hydroxy-1,4-dioxobutyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-oxo-4-(phenethylamino)butanoic acid IUPAC Name: 3-[[2-[[2-[(4-hydroxy-4-oxobutanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxo-4-(phenethylamino)butanoic acid Traditional Name: 3-[[2-[[2-[(4-hydroxy-4-keto-butanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-(methylthio)butanoyl]amino]-4-keto-4-(phenethylamino)butyric acid Formula: C32H39N5O8S MolecularWeight: 653.74576

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CC(=O)O)C(=O)NCCC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CCC(=O)O

Isomeric SMILES

CSCCC(C(=O)NC(CC(=O)O)C(=O)NCCC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CCC(=O)O

InChI

InChI=1S/C32H39N5O8S/c1-46-16-14-24(31(44)37-26(18-29(41)42)30(43)33-15-13-20-7-3-2-4-8-20)36-32(45)25(35-27(38)11-12-28(39)40)17-21-19-34-23-10-6-5-9-22(21)23/h2-10,19,24-26,34H,11-18H2,1H3,(H,33,43)(H,35,38)(H,36,45)(H,37,44)(H,39,40)(H,41,42)