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

Systemtic Name: (2S)-2-[[2-[cyclohexyl(methyl)azaniumyl]-2-methyl-propanoyl]amino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2-[cyclohexyl(methyl)ammonio]-2-methyl-propanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[cyclohexyl(methyl)ammonio]-2-methyl-1-oxopropyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-[cyclohexyl(methyl)azaniumyl]-2-methylpropanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[cyclohexyl(methyl)ammonio]-2-methyl-propanoyl]amino]-3-methyl-butyrate Formula: C16H30N2O3 MolecularWeight: 298.421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C(C)(C)[NH+](C)C1CCCCC1

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C(C)(C)[NH+](C)C1CCCCC1

InChI

InChI=1S/C16H30N2O3/c1-11(2)13(14(19)20)17-15(21)16(3,4)18(5)12-9-7-6-8-10-12/h11-13H,6-10H2,1-5H3,(H,17,21)(H,19,20)/t13-/m0/s1