4-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-3-[(4-phenyl-2-sulfanyl-butanoyl)amino]butanoic acid

Systemtic Name: 4-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-3-[(4-phenyl-2-sulfanyl-butanoyl)amino]butanoic acid Openeye Name: 4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-3-[(4-phenyl-2-sulfanyl-butanoyl)amino]butanoic acid CAS Name: 4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[(2-mercapto-1-oxo-4-phenylbutyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxo-3-[(4-phenyl-2-sulfanylbutanoyl)amino]butanoic acid Traditional Name: 4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-keto-3-[(2-mercapto-4-phenyl-butanoyl)amino]butyric acid Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O6S/c29-22(30)13-19(27-24(32)21(35)11-10-15-6-2-1-3-7-15)23(31)28-20(25(33)34)12-16-14-26-18-9-5-4-8-17(16)18/h1-9,14,19-21,26,35H,10-13H2,(H,27,32)(H,28,31)(H,29,30)(H,33,34)