(2S,3S)-3-methyl-2-[(phenylmethyl)amino]pentanoic acid

Systemtic Name: (2S,3S)-3-methyl-2-[(phenylmethyl)amino]pentanoic acid Openeye Name: (2S,3S)-2-(benzylamino)-3-methyl-pentanoic acid CAS Name: (2S,3S)-3-methyl-2-[(phenylmethyl)amino]pentanoic acid IUPAC Name: (2S,3S)-2-(benzylamino)-3-methylpentanoic acid Traditional Name: (2S,3S)-2-(benzylamino)-3-methyl-valeric acid Formula: C13H19NO2 MolecularWeight: 221.29546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2/c1-3-10(2)12(13(15)16)14-9-11-7-5-4-6-8-11/h4-8,10,12,14H,3,9H2,1-2H3,(H,15,16)/t10-,12-/m0/s1