(2R)-2-[[(2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoyl]amino]-3-sulfanyl-propanoate

Systemtic Name: (2R)-2-[[(2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoyl]amino]-3-sulfanyl-propanoate Openeye Name: (2R)-2-[[(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[(2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxobutyl]amino]propanoate IUPAC Name: (2R)-2-[[(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[[(2S)-3-methyl-2-(o-toluoylamino)butanoyl]amino]propionate Formula: C16H21N2O4S- MolecularWeight: 337.41394

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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)N[C@@H](C(C)C)C(=O)N[C@@H](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)/p-1/t12-,13-/m0/s1