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

Systemtic Name: 4-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]butanoic acid Openeye Name: 4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]butanoic acid CAS Name: 4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxo-3-[(3-phenyl-2-sulfanylpropanoyl)amino]butanoic acid Traditional Name: 4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-keto-3-[(2-mercapto-3-phenyl-propanoyl)amino]butyric acid Formula: C24H25N3O6S MolecularWeight: 483.5368

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H25N3O6S/c28-21(29)12-18(26-23(31)20(34)10-14-6-2-1-3-7-14)22(30)27-19(24(32)33)11-15-13-25-17-9-5-4-8-16(15)17/h1-9,13,18-20,25,34H,10-12H2,(H,26,31)(H,27,30)(H,28,29)(H,32,33)