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

Systemtic Name: (2S)-3-methyl-2-[[(2S)-2-(4-oxidanylidenepiperidin-1-ium-1-yl)propanoyl]amino]butanoate Openeye Name: (2S)-3-methyl-2-[[(2S)-2-(4-oxopiperidin-1-ium-1-yl)propanoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2S)-1-oxo-2-(4-oxo-1-piperidin-1-iumyl)propyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[(2S)-2-(4-oxopiperidin-1-ium-1-yl)propanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2S)-2-(4-ketopiperidin-1-ium-1-yl)propanoyl]amino]-3-methyl-butyrate Formula: C13H22N2O4 MolecularWeight: 270.32478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O4/c1-8(2)11(13(18)19)14-12(17)9(3)15-6-4-10(16)5-7-15/h8-9,11H,4-7H2,1-3H3,(H,14,17)(H,18,19)/t9-,11-/m0/s1