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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-9(2)7-13(14(18)19)17-15(20)16-12-8-10(3)5-6-11(12)4/h5-6,8-9,13H,7H2,1-4H3,(H,18,19)(H2,16,17,20)/p-1/t13-/m0/s1