(2S)-2-[2-[methyl-(phenylmethyl)azaniumyl]ethanoylamino]propanoate

Systemtic Name: (2S)-2-[2-[methyl-(phenylmethyl)azaniumyl]ethanoylamino]propanoate Openeye Name: (2S)-2-[[2-[benzyl(methyl)ammonio]acetyl]amino]propanoate CAS Name: (2S)-2-[[2-[methyl-(phenylmethyl)ammonio]-1-oxoethyl]amino]propanoate IUPAC Name: (2S)-2-[[2-[benzyl(methyl)azaniumyl]acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-[benzyl(methyl)ammonio]acetyl]amino]propionate Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-10(13(17)18)14-12(16)9-15(2)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)(H,17,18)/t10-/m0/s1