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

Systemtic Name: 4-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-3-[(2-phenyl-2-sulfanyl-ethanoyl)amino]butanoic acid Openeye Name: 4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-3-[(2-phenyl-2-sulfanyl-acetyl)amino]butanoic acid CAS Name: 4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[(2-mercapto-1-oxo-2-phenylethyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxo-3-[(2-phenyl-2-sulfanylacetyl)amino]butanoic acid Traditional Name: 4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-keto-3-[(2-mercapto-2-phenyl-acetyl)amino]butyric acid Formula: C23H23N3O6S MolecularWeight: 469.51022

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H23N3O6S/c27-19(28)11-17(25-22(30)20(33)13-6-2-1-3-7-13)21(29)26-18(23(31)32)10-14-12-24-16-9-5-4-8-15(14)16/h1-9,12,17-18,20,24,33H,10-11H2,(H,25,30)(H,26,29)(H,27,28)(H,31,32)