2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-3-(4-thiophen-2-ylphenyl)propanoic acid

Systemtic Name: 2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-3-(4-thiophen-2-ylphenyl)propanoic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-3-[4-(2-thienyl)phenyl]propanoic acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-3-(4-thiophen-2-ylphenyl)propanoic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-3-(4-thiophen-2-ylphenyl)propanoic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]-3-[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(CS)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CS3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO3S2/c25-22(19(15-28)13-16-5-2-1-3-6-16)24-20(23(26)27)14-17-8-10-18(11-9-17)21-7-4-12-29-21/h1-12,19-20,28H,13-15H2,(H,24,25)(H,26,27)