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

Systemtic Name: (2S,3S)-3-methyl-2-[2-[methyl-(phenylmethyl)azaniumyl]ethanoylamino]pentanoate Openeye Name: (2S,3S)-2-[[2-[benzyl(methyl)ammonio]acetyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-[[2-[methyl-(phenylmethyl)ammonio]-1-oxoethyl]amino]pentanoate IUPAC Name: (2S,3S)-2-[[2-[benzyl(methyl)azaniumyl]acetyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[2-[benzyl(methyl)ammonio]acetyl]amino]-3-methyl-valerate Formula: C16H24N2O3 MolecularWeight: 292.37336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3/c1-4-12(2)15(16(20)21)17-14(19)11-18(3)10-13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3,(H,17,19)(H,20,21)/t12-,15-/m0/s1