(2E)-2-(4-azanyl-5-fluoranyl-2-oxidanylidene-quinolin-3-ylidene)-N-[(3R,5R)-3,5-bis(oxidanyl)-7-(3-oxidanylazetidin-1-yl)-7-oxidanylidene-heptyl]-1,3-dihydrobenzimidazole-5-carboxamide

Systemtic Name: (2E)-2-(4-azanyl-5-fluoranyl-2-oxidanylidene-quinolin-3-ylidene)-N-[(3R,5R)-3,5-bis(oxidanyl)-7-(3-oxidanylazetidin-1-yl)-7-oxidanylidene-heptyl]-1,3-dihydrobenzimidazole-5-carboxamide Openeye Name: (2E)-2-(4-amino-5-fluoro-2-oxo-3-quinolylidene)-N-[(3R,5R)-3,5-dihydroxy-7-(3-hydroxyazetidin-1-yl)-7-oxo-heptyl]-1,3-dihydrobenzimidazole-5-carboxamide CAS Name: (2E)-2-(4-amino-5-fluoro-2-oxo-3-quinolinylidene)-N-[(3R,5R)-3,5-dihydroxy-7-(3-hydroxy-1-azetidinyl)-7-oxoheptyl]-1,3-dihydrobenzimidazole-5-carboxamide IUPAC Name: (2E)-2-(4-amino-5-fluoro-2-oxoquinolin-3-ylidene)-N-[(3R,5R)-3,5-dihydroxy-7-(3-hydroxyazetidin-1-yl)-7-oxoheptyl]-1,3-dihydrobenzimidazole-5-carboxamide Traditional Name: (2E)-2-(4-amino-5-fluoro-2-keto-3-quinolylidene)-N-[(3R,5R)-3,5-dihydroxy-7-(3-hydroxyazetidin-1-yl)-7-keto-heptyl]-1,3-dihydrobenzimidazole-5-carboxamide Formula: C27H29FN6O6 MolecularWeight: 552.554163

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1C(=O)CC(CC(CCNC(=O)C2=CC3=C(C=C2)NC(=C4C(=C5C(=NC4=O)C=CC=C5F)N)N3)O)O)O

Isomeric SMILES

C1C(CN1C(=O)C[C@@H](C[C@@H](CCNC(=O)C2=CC3=C(C=C2)N/C(=C\4/C(=C5C(=NC4=O)C=CC=C5F)N)/N3)O)O)O

InChI

InChI=1S/C27H29FN6O6/c28-17-2-1-3-19-22(17)24(29)23(27(40)33-19)25-31-18-5-4-13(8-20(18)32-25)26(39)30-7-6-14(35)9-15(36)10-21(38)34-11-16(37)12-34/h1-5,8,14-16,31-32,35-37H,6-7,9-12,29H2,(H,30,39)/b25-23+/t14-,15-/m1/s1