4-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-3-[[3-(4-phenylphenyl)-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-(4-phenylphenyl)-2-sulfanyl-propanoyl]amino]butanoic acid Openeye Name: 4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-3-[[3-(4-phenylphenyl)-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-(4-phenylphenyl)propyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxo-3-[[3-(4-phenylphenyl)-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-(4-phenylphenyl)propanoyl]amino]butyric acid Formula: C30H29N3O6S MolecularWeight: 559.63276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)S

InChI

InChI=1S/C30H29N3O6S/c34-27(35)16-24(28(36)33-25(30(38)39)15-21-17-31-23-9-5-4-8-22(21)23)32-29(37)26(40)14-18-10-12-20(13-11-18)19-6-2-1-3-7-19/h1-13,17,24-26,31,40H,14-16H2,(H,32,37)(H,33,36)(H,34,35)(H,38,39)