3-methoxy-3-[[2-[(2-methylphenyl)methyl]-3-sulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: 3-methoxy-3-[[2-[(2-methylphenyl)methyl]-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: 3-methoxy-3-[[2-(o-tolylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid CAS Name: 3-[[2-(mercaptomethyl)-3-(2-methylphenyl)-1-oxopropyl]amino]-3-methoxypropanoic acid IUPAC Name: 3-methoxy-3-[[2-[(2-methylphenyl)methyl]-3-sulfanylpropanoyl]amino]propanoic acid Traditional Name: 3-[[2-(mercaptomethyl)-3-(o-tolyl)propanoyl]amino]-3-methoxy-propionic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CS)C(=O)NC(CC(=O)O)OC

Isomeric SMILES

CC1=CC=CC=C1CC(CS)C(=O)NC(CC(=O)O)OC

InChI

InChI=1S/C15H21NO4S/c1-10-5-3-4-6-11(10)7-12(9-21)15(19)16-13(20-2)8-14(17)18/h3-6,12-13,21H,7-9H2,1-2H3,(H,16,19)(H,17,18)