(1R,2R,4R,6R,7R,8R,10R,13R,14S)-6-[3-[3-(2-chloranylquinolin-3-yl)-1,2-oxazol-5-yl]prop-2-ynoxy]-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-12-oxa-15,17-diazabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone

Systemtic Name: (1R,2R,4R,6R,7R,8R,10R,13R,14S)-6-[3-[3-(2-chloranylquinolin-3-yl)-1,2-oxazol-5-yl]prop-2-ynoxy]-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-12-oxa-15,17-diazabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Openeye Name: (1R,2R,4R,6R,7R,8R,10R,13R,14S)-6-[3-[3-(2-chloro-3-quinolyl)isoxazol-5-yl]prop-2-ynoxy]-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-12-oxa-15,17-diazabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone CAS Name: (1R,2R,4R,6R,7R,8R,10R,13R,14S)-6-[3-[3-(2-chloro-3-quinolinyl)-5-isoxazolyl]prop-2-ynoxy]-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-2,4,6,8,10,14-hexamethyl-12-oxa-15,17-diazabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone IUPAC Name: (1R,2R,4R,6R,7R,8R,10R,13R,14S)-6-[3-[3-(2-chloroquinolin-3-yl)-1,2-oxazol-5-yl]prop-2-ynoxy]-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-12-oxa-15,17-diazabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Traditional Name: (1R,2R,4R,6R,7R,8R,10R,13R,14S)-6-[3-[3-(2-chloro-3-quinolyl)isoxazol-5-yl]prop-2-ynoxy]-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-12-oxa-15,17-diazabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C45H58ClN5O10 MolecularWeight: 864.42252

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)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OCC#CC4=CC(=NO4)C5=CC6=CC=CC=C6N=C5Cl)C)C)NC(=O)N2)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@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OCC#CC4=CC(=NO4)C5=CC6=CC=CC=C6N=C5Cl)C)C)NC(=O)N2)C

InChI

InChI=1S/C45H58ClN5O10/c1-11-34-45(8)38(48-43(56)49-45)25(4)35(52)23(2)22-44(7,57-18-14-16-29-21-32(50-61-29)30-20-28-15-12-13-17-31(28)47-40(30)46)39(26(5)36(53)27(6)41(55)59-34)60-42-37(54)33(51(9)10)19-24(3)58-42/h12-13,15,17,20-21,23-27,33-34,37-39,42,54H,11,18-19,22H2,1-10H3,(H2,48,49,56)/t23-,24-,25+,26+,27-,33+,34-,37-,38-,39-,42+,44-,45-/m1/s1