(2S)-4-methyl-2-[[2-methyl-2-[methyl-(phenylmethyl)azaniumyl]propanoyl]amino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[[2-methyl-2-[methyl-(phenylmethyl)azaniumyl]propanoyl]amino]pentanoate Openeye Name: (2S)-2-[[2-[benzyl(methyl)ammonio]-2-methyl-propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[2-methyl-2-[methyl-(phenylmethyl)ammonio]-1-oxopropyl]amino]pentanoate IUPAC Name: (2S)-2-[[2-[benzyl(methyl)azaniumyl]-2-methylpropanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-[benzyl(methyl)ammonio]-2-methyl-propanoyl]amino]-4-methyl-valerate Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3/c1-13(2)11-15(16(21)22)19-17(23)18(3,4)20(5)12-14-9-7-6-8-10-14/h6-10,13,15H,11-12H2,1-5H3,(H,19,23)(H,21,22)/t15-/m0/s1