Mjj8RH7Z3D

(1S,2R,5S,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-5-fluoro-9-methoxy-1,5,7,9,11,13-hexamethyl-15-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone

Also Known As: hmr3562|HMR-3562|(1R,2R,4R,6R,7R,8R,10S,13R,14S)-7-((2S,3R,4S,6R)-4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL)OXY-13-ETHYL-10-FLUORO-6-METHOXY-2,4,6,8,10,14-HEXAMETHYL-17-(4-(4-(3-PYRIDYL)IMIDAZOL-1-YL)BUTYL)-12,15-DIOXA-17-AZABICYCLO(12.3.0)HEPTADECANE-3,9,11,16-TETRONE|(1R,2R,4R,6R,7R,8R,10S,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-10-fluoro-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone|(3AS,4R,7S,9R,10R,11R,13R,15R,15AR)-4-ETHYL-7-FLUOROOCTAHYDRO-11-METHOXY-3A,7,9,11,13,15-HEXAMETHYL-1-(4-(4-(3-PYRIDINYL)-1H-IMIDAZOL-1-YL)BUTYL)-10-((3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-.BETA.-D-XYLO-HEXOPYRANOSYL)OXY)-2H-OXACYCLOTETRADECINO(4,3-D)OXAZOLE-2,6,8,14(1H,7H,9H)-TETRONE|11-Deoxy-3-des(hexopyranosyloxy)-2-fluoro-11-[4-[4-(3-pyridinyl)-1H-imidazol-1-yl]butylamino]-6-O-methyl-3-oxoerythromycin A 11-N,12-O-cyclic carbamate|2H-OXACYCLOTETRADECINO(4,3-D)OXAZOLE-2,6,8,14(1H,7H,9H)-TETRONE, 4-ETHYL-7-FLUOROOCTAHYDRO-11-METHOXY-3A,7,9,11,13,15-HEXAMETHYL-1-(4-(4-(3-PYRIDINYL)-1H-IMIDAZOL-1-YL)BUTYL)-10-((3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-.BETA.-D-XYLO-HEXOPYRANOSYL)OXY)-, (3AS,4R,7S,9R,10R,11R,13R,15R,15AR)-

Molecular Formula	C43H64FN5O10
Molecular Weight	829.46375 g/mol
LogP	5.0213
Topological Polar Surface Area	171.85 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	13
Rotatable Bonds	11
Exact Mass	829.46375
Monoisotopic Mass	829.46375
Heavy Atoms	59
Complexity	1794.1738

Chemical Identifiers

CAS Number	193752-41-9
SMILES	CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=CC=C5)C