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

Systemtic Name: (2S,3S)-3-methyl-2-[[1-[(2S)-pyrrolidin-1-ium-2-yl]carbonylpiperidin-4-yl]carbonylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[1-[(2S)-pyrrolidin-1-ium-2-carbonyl]piperidine-4-carbonyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[oxo-[1-[oxo-[(2S)-2-pyrrolidin-1-iumyl]methyl]-4-piperidinyl]methyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[1-[(2S)-pyrrolidin-1-ium-2-carbonyl]piperidine-4-carbonyl]amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[[1-[(2S)-pyrrolidin-1-ium-2-carbonyl]isonipecotoyl]amino]valerate Formula: C17H29N3O4 MolecularWeight: 339.42986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O4/c1-3-11(2)14(17(23)24)19-15(21)12-6-9-20(10-7-12)16(22)13-5-4-8-18-13/h11-14,18H,3-10H2,1-2H3,(H,19,21)(H,23,24)/t11-,13-,14-/m0/s1