methyl (2S,4R)-4-[(2-cyclopropylquinolin-4-yl)carbonylamino]-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-[(2-cyclopropylquinolin-4-yl)carbonylamino]-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-[(2-cyclopropylquinoline-4-carbonyl)amino]-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-[[(2-cyclopropyl-4-quinolinyl)-oxomethyl]amino]-1-(3-phenylpropyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-[(2-cyclopropylquinoline-4-carbonyl)amino]-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-[(2-cyclopropylquinoline-4-carbonyl)amino]-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C28H32N3O3+ MolecularWeight: 458.57198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH+]1CCCC2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](C[NH+]1CCCC2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

InChI

InChI=1S/C28H31N3O3/c1-34-28(33)26-16-21(18-31(26)15-7-10-19-8-3-2-4-9-19)29-27(32)23-17-25(20-13-14-20)30-24-12-6-5-11-22(23)24/h2-6,8-9,11-12,17,20-21,26H,7,10,13-16,18H2,1H3,(H,29,32)/p+1/t21-,26+/m1/s1