2-[[(2S)-3-methyl-2-[methyl-(phenylmethyl)azaniumyl]butanoyl]amino]ethanoate

Systemtic Name: 2-[[(2S)-3-methyl-2-[methyl-(phenylmethyl)azaniumyl]butanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-2-[benzyl(methyl)ammonio]-3-methyl-butanoyl]amino]acetate CAS Name: 2-[[(2S)-3-methyl-2-[methyl-(phenylmethyl)ammonio]-1-oxobutyl]amino]acetate IUPAC Name: 2-[[(2S)-2-[benzyl(methyl)azaniumyl]-3-methylbutanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-[benzyl(methyl)ammonio]-3-methyl-butanoyl]amino]acetate Formula: C15H22N2O3 MolecularWeight: 278.34678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)[O-])[NH+](C)CC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC(=O)[O-])[NH+](C)CC1=CC=CC=C1

InChI

InChI=1S/C15H22N2O3/c1-11(2)14(15(20)16-9-13(18)19)17(3)10-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3,(H,16,20)(H,18,19)/t14-/m0/s1