5-azanyl-1-cyclopropyl-6-fluoranyl-8-methyl-7-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6-fluoranyl-8-methyl-7-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[(3S,4S)-3-(tert-butoxycarbonylamino)-4-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3S,4S)-3-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[(3S,4S)-3-(tert-butoxycarbonylamino)-4-methyl-pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C24H31FN4O5 MolecularWeight: 474.525143

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1NC(=O)OC(C)(C)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)C

Isomeric SMILES

C[C@H]1CN(C[C@H]1NC(=O)OC(C)(C)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)C

InChI

InChI=1S/C24H31FN4O5/c1-11-8-28(10-15(11)27-23(33)34-24(3,4)5)20-12(2)19-16(18(26)17(20)25)21(30)14(22(31)32)9-29(19)13-6-7-13/h9,11,13,15H,6-8,10,26H2,1-5H3,(H,27,33)(H,31,32)/t11-,15+/m0/s1