(2S)-2-[3-(4-oxidanylidenepiperidin-1-ium-1-yl)propanoylamino]propanoate

Systemtic Name: (2S)-2-[3-(4-oxidanylidenepiperidin-1-ium-1-yl)propanoylamino]propanoate Openeye Name: (2S)-2-[3-(4-oxopiperidin-1-ium-1-yl)propanoylamino]propanoate CAS Name: (2S)-2-[[1-oxo-3-(4-oxo-1-piperidin-1-iumyl)propyl]amino]propanoate IUPAC Name: (2S)-2-[3-(4-oxopiperidin-1-ium-1-yl)propanoylamino]propanoate Traditional Name: (2S)-2-[3-(4-ketopiperidin-1-ium-1-yl)propanoylamino]propionate Formula: C11H18N2O4 MolecularWeight: 242.27162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O4/c1-8(11(16)17)12-10(15)4-7-13-5-2-9(14)3-6-13/h8H,2-7H2,1H3,(H,12,15)(H,16,17)/t8-/m0/s1