(2S)-3-methyl-2-[2-(4-oxidanylidenepiperidin-1-ium-1-yl)ethanoylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[2-(4-oxidanylidenepiperidin-1-ium-1-yl)ethanoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[[2-(4-oxopiperidin-1-ium-1-yl)acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-(4-oxo-1-piperidin-1-iumyl)ethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[2-(4-oxopiperidin-1-ium-1-yl)acetyl]amino]butanoate Traditional Name: (2S)-2-[[2-(4-ketopiperidin-1-ium-1-yl)acetyl]amino]-3-methyl-butyrate Formula: C12H20N2O4 MolecularWeight: 256.2982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O4/c1-8(2)11(12(17)18)13-10(16)7-14-5-3-9(15)4-6-14/h8,11H,3-7H2,1-2H3,(H,13,16)(H,17,18)/t11-/m0/s1