(1R,2R,4R,6R,7R,8R,10S,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-10-fluoranyl-2,4,6,8,10,14-hexamethyl-6-(4-phenylbut-2-ynoxy)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone

Systemtic Name: (1R,2R,4R,6R,7R,8R,10S,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-10-fluoranyl-2,4,6,8,10,14-hexamethyl-6-(4-phenylbut-2-ynoxy)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Openeye Name: (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-2,4,6,8,10,14-hexamethyl-6-(4-phenylbut-2-ynoxy)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone CAS Name: (1R,2R,4R,6R,7R,8R,10S,13R,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-10-fluoro-2,4,6,8,10,14-hexamethyl-6-(4-phenylbut-2-ynoxy)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone IUPAC Name: (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-2,4,6,8,10,14-hexamethyl-6-(4-phenylbut-2-ynoxy)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Traditional Name: (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-2,4,6,8,10,14-hexamethyl-6-(4-phenylbut-2-ynoxy)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C40H57FN2O10 MolecularWeight: 744.886383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)(C)F)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OCC#CCC4=CC=CC=C4)C)C)NC(=O)O2)C

Isomeric 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)OCC#CCC4=CC=CC=C4)C)C)NC(=O)O2)C

InChI

InChI=1S/C40H57FN2O10/c1-11-29-40(8)32(42-37(48)53-40)25(4)30(44)23(2)22-38(6,49-20-16-15-19-27-17-13-12-14-18-27)34(26(5)33(46)39(7,41)36(47)51-29)52-35-31(45)28(43(9)10)21-24(3)50-35/h12-14,17-18,23-26,28-29,31-32,34-35,45H,11,19-22H2,1-10H3,(H,42,48)/t23-,24-,25+,26+,28+,29-,31-,32-,34-,35+,38-,39+,40-/m1/s1