2-[(2-oxidanylidene-3-phenyl-propyl)amino]-3-[2-(sulfanylmethyl)-4-thiophen-2-yl-phenyl]propanoic acid

Systemtic Name: 2-[(2-oxidanylidene-3-phenyl-propyl)amino]-3-[2-(sulfanylmethyl)-4-thiophen-2-yl-phenyl]propanoic acid Openeye Name: 2-[(2-oxo-3-phenyl-propyl)amino]-3-[2-(sulfanylmethyl)-4-(2-thienyl)phenyl]propanoic acid CAS Name: 3-[2-(mercaptomethyl)-4-thiophen-2-ylphenyl]-2-[(2-oxo-3-phenylpropyl)amino]propanoic acid IUPAC Name: 2-[(2-oxo-3-phenylpropyl)amino]-3-[2-(sulfanylmethyl)-4-thiophen-2-ylphenyl]propanoic acid Traditional Name: 2-[(2-keto-3-phenyl-propyl)amino]-3-[2-(mercaptomethyl)-4-(2-thienyl)phenyl]propionic acid Formula: C23H23NO3S2 MolecularWeight: 425.56362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)CNC(CC2=C(C=C(C=C2)C3=CC=CS3)CS)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)CNC(CC2=C(C=C(C=C2)C3=CC=CS3)CS)C(=O)O

InChI

InChI=1S/C23H23NO3S2/c25-20(11-16-5-2-1-3-6-16)14-24-21(23(26)27)13-17-8-9-18(12-19(17)15-28)22-7-4-10-29-22/h1-10,12,21,24,28H,11,13-15H2,(H,26,27)