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1-cyclopropyl-7-[4-[1-[5-(diphosphonomethylamino)-5-oxidanylidene-pentanoyl]oxyethoxycarbonyl]-3-methyl-piperazin-1-yl]-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid
1-cyclopropyl-7-[4-[1-[5-(diphosphonomethylamino)-5-oxidanylidene-pentanoyl]oxyethoxycarbonyl]-3-methyl-piperazin-1-yl]-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
CC1CN(CCN1C(=O)OC(C)OC(=O)CCCC(=O)NC(P(=O)(O)O)P(=O)(O)O)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F
Isomeric SMILES
CC1CN(CCN1C(=O)OC(C)OC(=O)CCCC(=O)NC(P(=O)(O)O)P(=O)(O)O)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C28H37FN4O15P2/c1-14-12-31(23-19(29)11-17-22(25(23)46-3)33(16-7-8-16)13-18(24(17)36)26(37)38)9-10-32(14)28(39)48-15(2)47-21(35)6-4-5-20(34)30-27(49(40,41)42)50(43,44)45/h11,13-16,27H,4-10,12H2,1-3H3,(H,30,34)(H,37,38)(H2,40,41,42)(H2,43,44,45)
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