(2S,3R)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3R)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonylamino]-3-methyl-pentanoate Openeye Name: (2S,3R)-2-[(2,4-dimethylthiazole-5-carbonyl)amino]-3-methyl-pentanoate CAS Name: (2S,3R)-2-[[(2,4-dimethyl-5-thiazolyl)-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoate Traditional Name: (2S,3R)-2-[(2,4-dimethylthiazole-5-carbonyl)amino]-3-methyl-valerate Formula: C12H17N2O3S- MolecularWeight: 269.33998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1=C(N=C(S1)C)C

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)[O-])NC(=O)C1=C(N=C(S1)C)C

InChI

InChI=1S/C12H18N2O3S/c1-5-6(2)9(12(16)17)14-11(15)10-7(3)13-8(4)18-10/h6,9H,5H2,1-4H3,(H,14,15)(H,16,17)/p-1/t6-,9+/m1/s1