(2S,3R)-3-methyl-2-[[(2S)-pyrrolidin-1-ium-2-yl]carbonylamino]pentanoate

Systemtic Name: (2S,3R)-3-methyl-2-[[(2S)-pyrrolidin-1-ium-2-yl]carbonylamino]pentanoate Openeye Name: (2S,3R)-3-methyl-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]pentanoate CAS Name: (2S,3R)-3-methyl-2-[[oxo-[(2S)-2-pyrrolidin-1-iumyl]methyl]amino]pentanoate IUPAC Name: (2S,3R)-3-methyl-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]pentanoate Traditional Name: (2S,3R)-3-methyl-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]valerate Formula: C11H20N2O3 MolecularWeight: 228.2881

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1CCC[NH2+]1

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)[O-])NC(=O)[C@@H]1CCC[NH2+]1

InChI

InChI=1S/C11H20N2O3/c1-3-7(2)9(11(15)16)13-10(14)8-5-4-6-12-8/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)/t7-,8+,9+/m1/s1