2-[[3-methyl-2-[(2-methylphenyl)carbonylamino]butanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[3-methyl-2-[(2-methylphenyl)carbonylamino]butanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[[3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxobutyl]amino]propanoic acid IUPAC Name: 2-[[3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-[[3-methyl-2-(o-toluoylamino)butanoyl]amino]propionic acid Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)NC(CS)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)NC(CS)C(=O)O

InChI

InChI=1S/C16H22N2O4S/c1-9(2)13(15(20)17-12(8-23)16(21)22)18-14(19)11-7-5-4-6-10(11)3/h4-7,9,12-13,23H,8H2,1-3H3,(H,17,20)(H,18,19)(H,21,22)