(3-methylphenyl) (2S)-2-azanyl-4-methyl-pentanoate

Systemtic Name: (3-methylphenyl) (2S)-2-azanyl-4-methyl-pentanoate Openeye Name: m-tolyl (2S)-2-amino-4-methyl-pentanoate CAS Name: (2S)-2-amino-4-methylpentanoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) (2S)-2-amino-4-methylpentanoate Traditional Name: (2S)-2-amino-4-methyl-valeric acid m-tolyl ester Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)C(CC(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2/c1-9(2)7-12(14)13(15)16-11-6-4-5-10(3)8-11/h4-6,8-9,12H,7,14H2,1-3H3/t12-/m0/s1