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

Systemtic Name: (1S,2S,3E,4R,6R,7R,8R,10R,13R,14S)-7-[(3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3-[2-[2-(5-phenyl-1,2,3,4-tetrazol-1-yl)ethylamino]ethylidene]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione Openeye Name: (1S,2S,3E,4R,6R,7R,8R,10R,13R,14S)-7-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3-[2-[2-(5-phenyltetrazol-1-yl)ethylamino]ethylidene]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione CAS Name: (1S,2S,3E,4R,6R,7R,8R,10R,13R,14S)-7-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3-[2-[2-(5-phenyl-1-tetrazolyl)ethylamino]ethylidene]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione IUPAC Name: (1S,2S,3E,4R,6R,7R,8R,10R,13R,14S)-7-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3-[2-[2-(5-phenyltetrazol-1-yl)ethylamino]ethylidene]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione Traditional Name: (1S,2S,3E,4R,6R,7R,8R,10R,13R,14S)-7-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3-[2-[2-(5-phenyltetrazol-1-yl)ethylamino]ethylidene]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione Formula: C42H65N7O9 MolecularWeight: 812.007

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=CCNCCN3C(=NN=N3)C4=CC=CC=C4)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC5C(C(CC(O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C

Isomeric SMILES

CC[C@@H]1[C@@]2([C@H]([C@H](/C(=C/CNCCN3C(=NN=N3)C4=CC=CC=C4)/[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)OC5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C

InChI

InChI=1S/C42H65N7O9/c1-12-32-42(8)35(44-40(53)58-42)26(4)30(18-19-43-20-21-49-37(45-46-47-49)29-16-14-13-15-17-29)24(2)23-41(7,54-11)36(27(5)33(50)28(6)38(52)56-32)57-39-34(51)31(48(9)10)22-25(3)55-39/h13-18,24-28,31-32,34-36,39,43,51H,12,19-23H2,1-11H3,(H,44,53)/b30-18+/t24-,25-,26+,27+,28-,31+,32-,34-,35+,36-,39?,41-,42-/m1/s1