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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N2O4/c1-4-9(2)12(14(19)20)15-13(18)10(3)16-7-5-11(17)6-8-16/h9-10,12H,4-8H2,1-3H3,(H,15,18)(H,19,20)/t9-,10+,12-/m0/s1