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

Systemtic Name: (2S,3S)-3-methyl-2-[[2-methyl-2-(4-oxidanylidenepiperidin-1-ium-1-yl)propanoyl]amino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[2-methyl-2-(4-oxopiperidin-1-ium-1-yl)propanoyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[2-methyl-1-oxo-2-(4-oxo-1-piperidin-1-iumyl)propyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[2-methyl-2-(4-oxopiperidin-1-ium-1-yl)propanoyl]amino]pentanoate Traditional Name: (2S,3S)-2-[[2-(4-ketopiperidin-1-ium-1-yl)-2-methyl-propanoyl]amino]-3-methyl-valerate Formula: C15H26N2O4 MolecularWeight: 298.37794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N2O4/c1-5-10(2)12(13(19)20)16-14(21)15(3,4)17-8-6-11(18)7-9-17/h10,12H,5-9H2,1-4H3,(H,16,21)(H,19,20)/t10-,12-/m0/s1