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

Systemtic Name: (2S)-2-[[2,2-dimethyl-3-(4-oxidanylidenepiperidin-1-ium-1-yl)propanoyl]amino]propanoate Openeye Name: (2S)-2-[[2,2-dimethyl-3-(4-oxopiperidin-1-ium-1-yl)propanoyl]amino]propanoate CAS Name: (2S)-2-[[2,2-dimethyl-1-oxo-3-(4-oxo-1-piperidin-1-iumyl)propyl]amino]propanoate IUPAC Name: (2S)-2-[[2,2-dimethyl-3-(4-oxopiperidin-1-ium-1-yl)propanoyl]amino]propanoate Traditional Name: (2S)-2-[[3-(4-ketopiperidin-1-ium-1-yl)-2,2-dimethyl-propanoyl]amino]propionate Formula: C13H22N2O4 MolecularWeight: 270.32478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O4/c1-9(11(17)18)14-12(19)13(2,3)8-15-6-4-10(16)5-7-15/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)/t9-/m0/s1