(2R)-3-methyl-2-[[1-[(2S)-pyrrolidin-1-ium-2-yl]carbonylpiperidin-4-yl]carbonylamino]butanoate

Systemtic Name: (2R)-3-methyl-2-[[1-[(2S)-pyrrolidin-1-ium-2-yl]carbonylpiperidin-4-yl]carbonylamino]butanoate Openeye Name: (2R)-3-methyl-2-[[1-[(2S)-pyrrolidin-1-ium-2-carbonyl]piperidine-4-carbonyl]amino]butanoate CAS Name: (2R)-3-methyl-2-[[oxo-[1-[oxo-[(2S)-2-pyrrolidin-1-iumyl]methyl]-4-piperidinyl]methyl]amino]butanoate IUPAC Name: (2R)-3-methyl-2-[[1-[(2S)-pyrrolidin-1-ium-2-carbonyl]piperidine-4-carbonyl]amino]butanoate Traditional Name: (2R)-3-methyl-2-[[1-[(2S)-pyrrolidin-1-ium-2-carbonyl]isonipecotoyl]amino]butyrate Formula: C16H27N3O4 MolecularWeight: 325.40328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1CCN(CC1)C(=O)C2CCC[NH2+]2

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])NC(=O)C1CCN(CC1)C(=O)[C@@H]2CCC[NH2+]2

InChI

InChI=1S/C16H27N3O4/c1-10(2)13(16(22)23)18-14(20)11-5-8-19(9-6-11)15(21)12-4-3-7-17-12/h10-13,17H,3-9H2,1-2H3,(H,18,20)(H,22,23)/t12-,13+/m0/s1