methyl (2S,4R)-4-[(2-cyclopropylquinolin-4-yl)carbonylamino]-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-[(2-cyclopropylquinolin-4-yl)carbonylamino]-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-[(2-cyclopropylquinoline-4-carbonyl)amino]-1-[(5-methyl-2-thienyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-[[(2-cyclopropyl-4-quinolinyl)-oxomethyl]amino]-1-[(5-methyl-2-thiophenyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-[(2-cyclopropylquinoline-4-carbonyl)amino]-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-[(2-cyclopropylquinoline-4-carbonyl)amino]-1-[(5-methyl-2-thienyl)methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CC(CC2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2C[C@@H](C[C@H]2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

InChI

InChI=1S/C25H27N3O3S/c1-15-7-10-18(32-15)14-28-13-17(11-23(28)25(30)31-2)26-24(29)20-12-22(16-8-9-16)27-21-6-4-3-5-19(20)21/h3-7,10,12,16-17,23H,8-9,11,13-14H2,1-2H3,(H,26,29)/p+1/t17-,23+/m1/s1