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

Systemtic Name: (2S)-3-methyl-2-[3-[methyl-(phenylmethyl)azaniumyl]propanoylamino]butanoate Openeye Name: (2S)-2-[3-[benzyl(methyl)ammonio]propanoylamino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[3-[methyl-(phenylmethyl)ammonio]-1-oxopropyl]amino]butanoate IUPAC Name: (2S)-2-[3-[benzyl(methyl)azaniumyl]propanoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[3-[benzyl(methyl)ammonio]propanoylamino]-3-methyl-butyrate Formula: C16H24N2O3 MolecularWeight: 292.37336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3/c1-12(2)15(16(20)21)17-14(19)9-10-18(3)11-13-7-5-4-6-8-13/h4-8,12,15H,9-11H2,1-3H3,(H,17,19)(H,20,21)/t15-/m0/s1