(1S,2R,4R,6R,7R,8S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-9-[(5R,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-17-(4-quinolin-4-ylbutyl)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,11,16-trione

Systemtic Name: (1S,2R,4R,6R,7R,8S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-9-[(5R,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-17-(4-quinolin-4-ylbutyl)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,11,16-trione Openeye Name: (1S,2R,4R,6R,7R,8S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-9-[(5R,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[4-(4-quinolyl)butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,11,16-trione CAS Name: (1S,2R,4R,6R,7R,8S,10R,13R,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-9-[[(5R,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[4-(4-quinolinyl)butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,11,16-trione IUPAC Name: (1S,2R,4R,6R,7R,8S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-9-[(5R,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-methoxy-2,4,6,8,10,14-hexamethyl-17-(4-quinolin-4-ylbutyl)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,11,16-trione Traditional Name: (1S,2R,4R,6R,7R,8S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-9-[(5R,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[4-(4-quinolyl)butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,11,16-trione Formula: C52H81N3O13 MolecularWeight: 956.21184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCC5=CC=NC6=CC=CC=C56)C

Isomeric SMILES

CC[C@@H]1[C@@]2([C@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C([C@H](C(=O)O1)C)OC3CC([C@@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCC5=CC=NC6=CC=CC=C56)C

InChI

InChI=1S/C52H81N3O13/c1-15-39-52(10)44(55(49(60)68-52)25-19-18-20-35-23-24-53-37-22-17-16-21-36(35)37)31(4)41(56)29(2)27-51(9,62-14)46(67-48-42(57)38(54(11)12)26-30(3)63-48)32(5)43(33(6)47(59)65-39)66-40-28-50(8,61-13)45(58)34(7)64-40/h16-17,21-24,29-34,38-40,42-46,48,57-58H,15,18-20,25-28H2,1-14H3/t29-,30-,31+,32+,33-,34+,38+,39-,40?,42-,43?,44+,45-,46-,48+,50?,51-,52-/m1/s1