(2S)-2-[(3,5-dimethylphenyl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[(3,5-dimethylphenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[(3,5-dimethylbenzoyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(3,5-dimethylphenyl)-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[(3,5-dimethylbenzoyl)amino]-4-methyl-valerate Formula: C15H20NO3- MolecularWeight: 262.3242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(CC(C)C)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N[C@@H](CC(C)C)C(=O)[O-])C

InChI

InChI=1S/C15H21NO3/c1-9(2)5-13(15(18)19)16-14(17)12-7-10(3)6-11(4)8-12/h6-9,13H,5H2,1-4H3,(H,16,17)(H,18,19)/p-1/t13-/m0/s1