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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N2O4/c1-9(2)8-12(14(19)20)15-13(18)10(3)16-6-4-11(17)5-7-16/h9-10,12H,4-8H2,1-3H3,(H,15,18)(H,19,20)/t10-,12-/m0/s1