(2S)-3-methyl-2-[3-(2,2,6,6-tetramethyl-4-oxidanylidene-piperidin-1-ium-1-yl)propanoylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[3-(2,2,6,6-tetramethyl-4-oxidanylidene-piperidin-1-ium-1-yl)propanoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[3-(2,2,6,6-tetramethyl-4-oxo-piperidin-1-ium-1-yl)propanoylamino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-3-(2,2,6,6-tetramethyl-4-oxo-1-piperidin-1-iumyl)propyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-ium-1-yl)propanoylamino]butanoate Traditional Name: (2S)-2-[3-(4-keto-2,2,6,6-tetramethyl-piperidin-1-ium-1-yl)propanoylamino]-3-methyl-butyrate Formula: C17H30N2O4 MolecularWeight: 326.4311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N2O4/c1-11(2)14(15(22)23)18-13(21)7-8-19-16(3,4)9-12(20)10-17(19,5)6/h11,14H,7-10H2,1-6H3,(H,18,21)(H,22,23)/t14-/m0/s1