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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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