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

Systemtic Name: 4-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-[(3-naphthalen-2-yl-2-sulfanyl-propanoyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-3-[[3-(2-naphthyl)-2-sulfanyl-propanoyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[[2-mercapto-3-(2-naphthalenyl)-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[(3-naphthalen-2-yl-2-sulfanylpropanoyl)amino]-4-oxobutanoic acid Traditional Name: 4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-keto-3-[[2-mercapto-3-(2-naphthyl)propanoyl]amino]butyric acid Formula: C28H27N3O6S MolecularWeight: 533.59548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)S

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)S

InChI

InChI=1S/C28H27N3O6S/c32-25(33)14-22(30-27(35)24(38)12-16-9-10-17-5-1-2-6-18(17)11-16)26(34)31-23(28(36)37)13-19-15-29-21-8-4-3-7-20(19)21/h1-11,15,22-24,29,38H,12-14H2,(H,30,35)(H,31,34)(H,32,33)(H,36,37)