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

Systemtic Name: (2S)-3-methyl-2-[4-(4-oxidanylidenepiperidin-1-ium-1-yl)butanoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[4-(4-oxopiperidin-1-ium-1-yl)butanoylamino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-4-(4-oxo-1-piperidin-1-iumyl)butyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[4-(4-oxopiperidin-1-ium-1-yl)butanoylamino]butanoate Traditional Name: (2S)-2-[4-(4-ketopiperidin-1-ium-1-yl)butanoylamino]-3-methyl-butyrate Formula: C14H24N2O4 MolecularWeight: 284.35136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N2O4/c1-10(2)13(14(19)20)15-12(18)4-3-7-16-8-5-11(17)6-9-16/h10,13H,3-9H2,1-2H3,(H,15,18)(H,19,20)/t13-/m0/s1