(2S,3R)-2-[(3,4-dimethylphenyl)carbonylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3R)-2-[(3,4-dimethylphenyl)carbonylamino]-3-methyl-pentanoate Openeye Name: (2S,3R)-2-[(3,4-dimethylbenzoyl)amino]-3-methyl-pentanoate CAS Name: (2S,3R)-2-[[(3,4-dimethylphenyl)-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3R)-2-[(3,4-dimethylbenzoyl)amino]-3-methylpentanoate Traditional Name: (2S,3R)-2-[(3,4-dimethylbenzoyl)amino]-3-methyl-valerate Formula: C15H20NO3- MolecularWeight: 262.3242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1=CC(=C(C=C1)C)C

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-5-9(2)13(15(18)19)16-14(17)12-7-6-10(3)11(4)8-12/h6-9,13H,5H2,1-4H3,(H,16,17)(H,18,19)/p-1/t9-,13+/m1/s1