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

Systemtic Name: (2S,3S)-2-[[2,2-dimethyl-3-(4-oxidanylidenepiperidin-1-ium-1-yl)propanoyl]amino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[2,2-dimethyl-3-(4-oxopiperidin-1-ium-1-yl)propanoyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[2,2-dimethyl-1-oxo-3-(4-oxo-1-piperidin-1-iumyl)propyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[2,2-dimethyl-3-(4-oxopiperidin-1-ium-1-yl)propanoyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[3-(4-ketopiperidin-1-ium-1-yl)-2,2-dimethyl-propanoyl]amino]-3-methyl-valerate Formula: C16H28N2O4 MolecularWeight: 312.40452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O4/c1-5-11(2)13(14(20)21)17-15(22)16(3,4)10-18-8-6-12(19)7-9-18/h11,13H,5-10H2,1-4H3,(H,17,22)(H,20,21)/t11-,13-/m0/s1