2-[(4-methoxyphenyl)-[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)-[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-(N-(2-benzyl-3-sulfanyl-propanoyl)-4-methoxy-anilino)acetic acid CAS Name: 2-(N-[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]-4-methoxyanilino)acetic acid IUPAC Name: 2-(N-(2-benzyl-3-sulfanylpropanoyl)-4-methoxyanilino)acetic acid Traditional Name: 2-(N-(2-benzyl-3-mercapto-propanoyl)-4-methoxy-anilino)acetic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)O)C(=O)C(CC2=CC=CC=C2)CS

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)O)C(=O)C(CC2=CC=CC=C2)CS

InChI

InChI=1S/C19H21NO4S/c1-24-17-9-7-16(8-10-17)20(12-18(21)22)19(23)15(13-25)11-14-5-3-2-4-6-14/h2-10,15,25H,11-13H2,1H3,(H,21,22)