(2R)-2-[[(2S)-3-methyl-2-(4-oxidanylidenepiperidin-1-ium-1-yl)butanoyl]amino]propanoate

Systemtic Name: (2R)-2-[[(2S)-3-methyl-2-(4-oxidanylidenepiperidin-1-ium-1-yl)butanoyl]amino]propanoate Openeye Name: (2R)-2-[[(2S)-3-methyl-2-(4-oxopiperidin-1-ium-1-yl)butanoyl]amino]propanoate CAS Name: (2R)-2-[[(2S)-3-methyl-1-oxo-2-(4-oxo-1-piperidin-1-iumyl)butyl]amino]propanoate IUPAC Name: (2R)-2-[[(2S)-3-methyl-2-(4-oxopiperidin-1-ium-1-yl)butanoyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-2-(4-ketopiperidin-1-ium-1-yl)-3-methyl-butanoyl]amino]propionate Formula: C13H22N2O4 MolecularWeight: 270.32478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O4/c1-8(2)11(12(17)14-9(3)13(18)19)15-6-4-10(16)5-7-15/h8-9,11H,4-7H2,1-3H3,(H,14,17)(H,18,19)/t9-,11+/m1/s1