(2S)-4-methyl-2-[(phenylmethyl)amino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[(phenylmethyl)amino]pentanoic acid Openeye Name: (2S)-2-(benzylamino)-4-methyl-pentanoic acid CAS Name: (2S)-4-methyl-2-[(phenylmethyl)amino]pentanoic acid IUPAC Name: (2S)-2-(benzylamino)-4-methylpentanoic acid Traditional Name: (2S)-2-(benzylamino)-4-methyl-valeric acid Formula: C13H19NO2 MolecularWeight: 221.29546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NCC1=CC=CC=C1

InChI

InChI=1S/C13H19NO2/c1-10(2)8-12(13(15)16)14-9-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,15,16)/t12-/m0/s1