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

Systemtic Name: 2-[(3-methylphenyl)-[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-(N-(2-benzyl-3-sulfanyl-propanoyl)-3-methyl-anilino)acetic acid CAS Name: 2-(N-[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]-3-methylanilino)acetic acid IUPAC Name: 2-(N-(2-benzyl-3-sulfanylpropanoyl)-3-methylanilino)acetic acid Traditional Name: 2-(N-(2-benzyl-3-mercapto-propanoyl)-3-methyl-anilino)acetic acid Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC(=O)O)C(=O)C(CC2=CC=CC=C2)CS

Isomeric SMILES

CC1=CC(=CC=C1)N(CC(=O)O)C(=O)C(CC2=CC=CC=C2)CS

InChI

InChI=1S/C19H21NO3S/c1-14-6-5-9-17(10-14)20(12-18(21)22)19(23)16(13-24)11-15-7-3-2-4-8-15/h2-10,16,24H,11-13H2,1H3,(H,21,22)