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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N2O4/c1-3-10(2)13(14(19)20)15-12(18)6-9-16-7-4-11(17)5-8-16/h10,13H,3-9H2,1-2H3,(H,15,18)(H,19,20)/t10-,13-/m0/s1