3-(1H-indol-3-yl)-2-[[(2E)-2-(5-oxidanyl-3-oxidanylidene-4-phenyl-thiophen-2-ylidene)-2-phenyl-ethanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[(2E)-2-(5-oxidanyl-3-oxidanylidene-4-phenyl-thiophen-2-ylidene)-2-phenyl-ethanoyl]amino]propanoic acid Openeye Name: 2-[[(2E)-2-(5-hydroxy-3-oxo-4-phenyl-2-thienylidene)-2-phenyl-acetyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[(2E)-2-(5-hydroxy-3-oxo-4-phenyl-2-thiophenylidene)-1-oxo-2-phenylethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[(2E)-2-(5-hydroxy-3-oxo-4-phenylthiophen-2-ylidene)-2-phenylacetyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[(2E)-2-(5-hydroxy-3-keto-4-phenyl-2-thienylidene)-2-phenyl-acetyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C29H22N2O5S MolecularWeight: 510.56038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC(=C(C3=CC=CC=C3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O)C2=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(S/C(=C(\C3=CC=CC=C3)/C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O)/C2=O)O

InChI

InChI=1S/C29H22N2O5S/c32-25-23(17-9-3-1-4-10-17)29(36)37-26(25)24(18-11-5-2-6-12-18)27(33)31-22(28(34)35)15-19-16-30-21-14-8-7-13-20(19)21/h1-14,16,22,30,36H,15H2,(H,31,33)(H,34,35)/b26-24+