(2S)-3-methyl-2-[2-[methyl-(phenylmethyl)azaniumyl]ethanoylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[2-[methyl-(phenylmethyl)azaniumyl]ethanoylamino]butanoate Openeye Name: (2S)-2-[[2-[benzyl(methyl)ammonio]acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[2-[methyl-(phenylmethyl)ammonio]-1-oxoethyl]amino]butanoate IUPAC Name: (2S)-2-[[2-[benzyl(methyl)azaniumyl]acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[benzyl(methyl)ammonio]acetyl]amino]-3-methyl-butyrate Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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