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

Systemtic Name: 5-azanyl-1-cyclopropyl-6-fluoranyl-8-methyl-7-[(3S,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propyl-pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[(3S,4S)-3-(tert-butoxycarbonylamino)-4-propyl-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-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-propyl-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3S,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propylpyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[(3S,4S)-3-(tert-butoxycarbonylamino)-4-propyl-pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C26H35FN4O5 MolecularWeight: 502.578303

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CN(CC1NC(=O)OC(C)(C)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)C

Isomeric SMILES

CCC[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/C26H35FN4O5/c1-6-7-14-10-30(12-17(14)29-25(35)36-26(3,4)5)22-13(2)21-18(20(28)19(22)27)23(32)16(24(33)34)11-31(21)15-8-9-15/h11,14-15,17H,6-10,12,28H2,1-5H3,(H,29,35)(H,33,34)/t14-,17+/m0/s1