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

Systemtic Name: (2S)-3-methyl-2-[[2-methyl-2-[methyl-(phenylmethyl)azaniumyl]propanoyl]amino]butanoate Openeye Name: (2S)-2-[[2-[benzyl(methyl)ammonio]-2-methyl-propanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[2-methyl-2-[methyl-(phenylmethyl)ammonio]-1-oxopropyl]amino]butanoate IUPAC Name: (2S)-2-[[2-[benzyl(methyl)azaniumyl]-2-methylpropanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[benzyl(methyl)ammonio]-2-methyl-propanoyl]amino]-3-methyl-butyrate Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3/c1-12(2)14(15(20)21)18-16(22)17(3,4)19(5)11-13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3,(H,18,22)(H,20,21)/t14-/m0/s1