(2S)-2-[(2,4-dimethylphenyl)carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[(2,4-dimethylphenyl)carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(2,4-dimethylbenzoyl)amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2,4-dimethylphenyl)-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(2,4-dimethylbenzoyl)amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(2,4-dimethylbenzoyl)amino]-4-methyl-valeric acid Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(CC(C)C)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-9(2)7-13(15(18)19)16-14(17)12-6-5-10(3)8-11(12)4/h5-6,8-9,13H,7H2,1-4H3,(H,16,17)(H,18,19)/t13-/m0/s1