(2S)-2-[[2,2-dimethyl-3-(4-oxidanylidenepiperidin-1-ium-1-yl)propanoyl]amino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[[2,2-dimethyl-3-(4-oxidanylidenepiperidin-1-ium-1-yl)propanoyl]amino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2,2-dimethyl-3-(4-oxopiperidin-1-ium-1-yl)propanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2,2-dimethyl-1-oxo-3-(4-oxo-1-piperidin-1-iumyl)propyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2,2-dimethyl-3-(4-oxopiperidin-1-ium-1-yl)propanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[3-(4-ketopiperidin-1-ium-1-yl)-2,2-dimethyl-propanoyl]amino]-3-methyl-butyrate Formula: C15H26N2O4 MolecularWeight: 298.37794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C(C)(C)C[NH+]1CCC(=O)CC1

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C(C)(C)C[NH+]1CCC(=O)CC1

InChI

InChI=1S/C15H26N2O4/c1-10(2)12(13(19)20)16-14(21)15(3,4)9-17-7-5-11(18)6-8-17/h10,12H,5-9H2,1-4H3,(H,16,21)(H,19,20)/t12-/m0/s1