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

Systemtic Name: (2S,3S)-3-methyl-2-[[(2R)-3-methyl-2-(4-oxidanylidenepiperidin-1-ium-1-yl)butanoyl]amino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[(2R)-3-methyl-2-(4-oxopiperidin-1-ium-1-yl)butanoyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[(2R)-3-methyl-1-oxo-2-(4-oxo-1-piperidin-1-iumyl)butyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[(2R)-3-methyl-2-(4-oxopiperidin-1-ium-1-yl)butanoyl]amino]pentanoate Traditional Name: (2S,3S)-2-[[(2R)-2-(4-ketopiperidin-1-ium-1-yl)-3-methyl-butanoyl]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@@H](C(C)C)[NH+]1CCC(=O)CC1

InChI

InChI=1S/C16H28N2O4/c1-5-11(4)13(16(21)22)17-15(20)14(10(2)3)18-8-6-12(19)7-9-18/h10-11,13-14H,5-9H2,1-4H3,(H,17,20)(H,21,22)/t11-,13-,14+/m0/s1