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

Systemtic Name: 2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-3-(4-pyridin-3-ylphenyl)propanoic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-3-[4-(3-pyridyl)phenyl]propanoic acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-3-[4-(3-pyridinyl)phenyl]propanoic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-3-(4-pyridin-3-ylphenyl)propanoic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]-3-[4-(3-pyridyl)phenyl]propionic acid Formula: C24H24N2O3S MolecularWeight: 420.52396

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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=CN=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O3S/c27-23(21(16-30)13-17-5-2-1-3-6-17)26-22(24(28)29)14-18-8-10-19(11-9-18)20-7-4-12-25-15-20/h1-12,15,21-22,30H,13-14,16H2,(H,26,27)(H,28,29)