(2S)-2-[[2-methyl-2-(4-oxidanylidenepiperidin-1-ium-1-yl)propanoyl]amino]propanoate

Systemtic Name: (2S)-2-[[2-methyl-2-(4-oxidanylidenepiperidin-1-ium-1-yl)propanoyl]amino]propanoate Openeye Name: (2S)-2-[[2-methyl-2-(4-oxopiperidin-1-ium-1-yl)propanoyl]amino]propanoate CAS Name: (2S)-2-[[2-methyl-1-oxo-2-(4-oxo-1-piperidin-1-iumyl)propyl]amino]propanoate IUPAC Name: (2S)-2-[[2-methyl-2-(4-oxopiperidin-1-ium-1-yl)propanoyl]amino]propanoate Traditional Name: (2S)-2-[[2-(4-ketopiperidin-1-ium-1-yl)-2-methyl-propanoyl]amino]propionate Formula: C12H20N2O4 MolecularWeight: 256.2982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O4/c1-8(10(16)17)13-11(18)12(2,3)14-6-4-9(15)5-7-14/h8H,4-7H2,1-3H3,(H,13,18)(H,16,17)/t8-/m0/s1