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

Systemtic Name: (2S)-4-methyl-2-[3-(4-oxidanylidenepiperidin-1-ium-1-yl)propanoylamino]pentanoate Openeye Name: (2S)-4-methyl-2-[3-(4-oxopiperidin-1-ium-1-yl)propanoylamino]pentanoate CAS Name: (2S)-4-methyl-2-[[1-oxo-3-(4-oxo-1-piperidin-1-iumyl)propyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[3-(4-oxopiperidin-1-ium-1-yl)propanoylamino]pentanoate Traditional Name: (2S)-2-[3-(4-ketopiperidin-1-ium-1-yl)propanoylamino]-4-methyl-valerate Formula: C14H24N2O4 MolecularWeight: 284.35136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N2O4/c1-10(2)9-12(14(19)20)15-13(18)5-8-16-6-3-11(17)4-7-16/h10,12H,3-9H2,1-2H3,(H,15,18)(H,19,20)/t12-/m0/s1