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

Systemtic Name: (1S,2R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-9-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-17-[2-(quinolin-4-ylmethylamino)ethyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,11,16-trione Openeye Name: (1S,2R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-9-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[2-(4-quinolylmethylamino)ethyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,11,16-trione CAS Name: (1S,2R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-9-[[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[2-(4-quinolinylmethylamino)ethyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,11,16-trione IUPAC Name: (1S,2R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-9-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[2-(quinolin-4-ylmethylamino)ethyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,11,16-trione Traditional Name: (1S,2R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-9-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[2-(4-quinolylmethylamino)ethyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,11,16-trione Formula: C51H80N4O13 MolecularWeight: 957.1999

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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)CCNCC5=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@@H]([C@H](C(=O)O1)C)OC3C[C@@]([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)CCNCC5=CC=NC6=CC=CC=C56)C

InChI

InChI=1S/C51H80N4O13/c1-15-38-51(10)43(55(48(60)68-51)23-22-52-27-34-20-21-53-36-19-17-16-18-35(34)36)30(4)40(56)28(2)25-50(9,62-14)45(67-47-41(57)37(54(11)12)24-29(3)63-47)31(5)42(32(6)46(59)65-38)66-39-26-49(8,61-13)44(58)33(7)64-39/h16-21,28-33,37-39,41-45,47,52,57-58H,15,22-27H2,1-14H3/t28-,29-,30+,31+,32-,33+,37+,38-,39?,41-,42+,43+,44+,45-,47+,49-,50-,51-/m1/s1