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

Systemtic Name: (2S,3S)-3-methyl-2-[(phenylmethyl)azaniumyl]pentanoate Openeye Name: (2S,3S)-2-(benzylammonio)-3-methyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-[(phenylmethyl)ammonio]pentanoate IUPAC Name: (2S,3S)-2-(benzylazaniumyl)-3-methylpentanoate Traditional Name: (2S,3S)-2-(benzylammonio)-3-methyl-valerate Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])[NH2+]CC1=CC=CC=C1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])[NH2+]CC1=CC=CC=C1

InChI

InChI=1S/C13H19NO2/c1-3-10(2)12(13(15)16)14-9-11-7-5-4-6-8-11/h4-8,10,12,14H,3,9H2,1-2H3,(H,15,16)/t10-,12-/m0/s1