2-[(4-phenylphenyl)-[2-(pyridin-3-ylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: 2-[(4-phenylphenyl)-[2-(pyridin-3-ylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: 2-(4-phenyl-N-[2-(3-pyridylmethyl)-3-sulfanyl-propanoyl]anilino)propanoic acid CAS Name: 2-(N-[2-(mercaptomethyl)-1-oxo-3-(3-pyridinyl)propyl]-4-phenylanilino)propanoic acid IUPAC Name: 2-(4-phenyl-N-[2-(pyridin-3-ylmethyl)-3-sulfanylpropanoyl]anilino)propanoic acid Traditional Name: 2-(N-[2-(mercaptomethyl)-3-(3-pyridyl)propanoyl]-4-phenyl-anilino)propionic acid Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)C(CC3=CN=CC=C3)CS

Isomeric SMILES

CC(C(=O)O)N(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)C(CC3=CN=CC=C3)CS

InChI

InChI=1S/C24H24N2O3S/c1-17(24(28)29)26(23(27)21(16-30)14-18-6-5-13-25-15-18)22-11-9-20(10-12-22)19-7-3-2-4-8-19/h2-13,15,17,21,30H,14,16H2,1H3,(H,28,29)