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

Systemtic Name: (2S)-2-[(3,5-dimethylphenyl)carbamoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[(3,5-dimethylphenyl)carbamoylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(3,5-dimethylanilino)-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[(3,5-dimethylphenyl)carbamoylamino]-4-methylpentanoate Traditional Name: (2S)-2-[(3,5-dimethylphenyl)carbamoylamino]-4-methyl-valerate Formula: C15H21N2O3- MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-9(2)5-13(14(18)19)17-15(20)16-12-7-10(3)6-11(4)8-12/h6-9,13H,5H2,1-4H3,(H,18,19)(H2,16,17,20)/p-1/t13-/m0/s1