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

Systemtic Name: (2S,3S)-3-methyl-2-[3-[methyl-(phenylmethyl)azaniumyl]propanoylamino]pentanoate Openeye Name: (2S,3S)-2-[3-[benzyl(methyl)ammonio]propanoylamino]-3-methyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-[[3-[methyl-(phenylmethyl)ammonio]-1-oxopropyl]amino]pentanoate IUPAC Name: (2S,3S)-2-[3-[benzyl(methyl)azaniumyl]propanoylamino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[3-[benzyl(methyl)ammonio]propanoylamino]-3-methyl-valerate Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3/c1-4-13(2)16(17(21)22)18-15(20)10-11-19(3)12-14-8-6-5-7-9-14/h5-9,13,16H,4,10-12H2,1-3H3,(H,18,20)(H,21,22)/t13-,16-/m0/s1