1-cyclopropyl-6-fluoranyl-7-[(3R,4S)-3-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[(3R,4S)-3-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid Openeye Name: 7-[(3S,4R)-3-(tert-butoxycarbonylamino)-4-(2-methoxyphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[(3R,4S)-3-(2-methoxyphenyl)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[(3R,4S)-3-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid Traditional Name: 7-[(3S,4R)-3-(tert-butoxycarbonylamino)-4-(2-methoxyphenyl)pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-1,8-naphthyridine-3-carboxylic acid Formula: C28H31FN4O6 MolecularWeight: 538.567343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(CC1C2=CC=CC=C2OC)C3=C(C=C4C(=O)C(=CN(C4=N3)C5CC5)C(=O)O)F

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]1CN(C[C@H]1C2=CC=CC=C2OC)C3=C(C=C4C(=O)C(=CN(C4=N3)C5CC5)C(=O)O)F

InChI

InChI=1S/C28H31FN4O6/c1-28(2,3)39-27(37)30-21-14-32(12-18(21)16-7-5-6-8-22(16)38-4)25-20(29)11-17-23(34)19(26(35)36)13-33(15-9-10-15)24(17)31-25/h5-8,11,13,15,18,21H,9-10,12,14H2,1-4H3,(H,30,37)(H,35,36)/t18-,21+/m0/s1