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

Systemtic Name: 3-(1H-imidazol-5-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-imidazol-5-yl)propanoic acid CAS Name: 2-[[(2E)-2-(5-hydroxy-3-oxo-4-phenyl-2-thiophenylidene)-1-oxo-2-phenylethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[[(2E)-2-(5-hydroxy-3-oxo-4-phenylthiophen-2-ylidene)-2-phenylacetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[[(2E)-2-(5-hydroxy-3-keto-4-phenyl-2-thienylidene)-2-phenyl-acetyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C24H19N3O5S MolecularWeight: 461.48976

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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=CN=CN4)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=CN=CN4)C(=O)O)/C2=O)O

InChI

InChI=1S/C24H19N3O5S/c28-20-18(14-7-3-1-4-8-14)24(32)33-21(20)19(15-9-5-2-6-10-15)22(29)27-17(23(30)31)11-16-12-25-13-26-16/h1-10,12-13,17,32H,11H2,(H,25,26)(H,27,29)(H,30,31)/b21-19+