(1S,2R,3R,6R,7S,8S,9R,10R,13E,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-7-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,6,8,10,16,18,19-heptamethyl-2-oxidanyl-13-[(6-pyrazol-1-ylpyridin-3-yl)methoxyimino]-4,11,15-trioxa-18-azabicyclo[8.5.5]icosan-5-one

Systemtic Name: (1S,2R,3R,6R,7S,8S,9R,10R,13E,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-7-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,6,8,10,16,18,19-heptamethyl-2-oxidanyl-13-[(6-pyrazol-1-ylpyridin-3-yl)methoxyimino]-4,11,15-trioxa-18-azabicyclo[8.5.5]icosan-5-one Openeye Name: (1S,2R,3R,6R,7S,8S,9R,10R,13E,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-2-hydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,6,8,10,16,18,19-heptamethyl-13-[(6-pyrazol-1-yl-3-pyridyl)methoxyimino]-4,11,15-trioxa-18-azabicyclo[8.5.5]icosan-5-one CAS Name: (1S,2R,3R,6R,7S,8S,9R,10R,13E,16S,19R)-9-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-3-ethyl-2-hydroxy-7-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-2,6,8,10,16,18,19-heptamethyl-13-[[6-(1-pyrazolyl)-3-pyridinyl]methoxyimino]-4,11,15-trioxa-18-azabicyclo[8.5.5]eicosan-5-one IUPAC Name: (1S,2R,3R,6R,7S,8S,9R,10R,13E,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,6,8,10,16,18,19-heptamethyl-13-[(6-pyrazol-1-ylpyridin-3-yl)methoxyimino]-4,11,15-trioxa-18-azabicyclo[8.5.5]icosan-5-one Traditional Name: (1S,2R,3R,6R,7S,8S,9R,10R,13E,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-2-hydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,6,8,10,16,18,19-heptamethyl-13-[(6-pyrazol-1-yl-3-pyridyl)methyloximino]-4,11,15-trioxa-18-azabicyclo[8.5.5]eicosan-5-one Formula: C50H82N6O13 MolecularWeight: 975.21848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2C(CN(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)(OCC(=NOCC5=CN=C(C=C5)N6C=CC=N6)CO2)C)C)C)C)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]2[C@H](CN([C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[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)(OC/C(=N/OCC5=CN=C(C=C5)N6C=CC=N6)/CO2)C)C)C)C)(C)O

InChI

InChI=1S/C50H82N6O13/c1-15-38-50(10,60)44-29(2)25-55(13)30(3)22-49(9,63-28-36(27-62-44)53-64-26-35-17-18-39(51-24-35)56-20-16-19-52-56)45(69-47-41(57)37(54(11)12)21-31(4)65-47)32(5)42(33(6)46(59)67-38)68-40-23-48(8,61-14)43(58)34(7)66-40/h16-20,24,29-34,37-38,40-45,47,57-58,60H,15,21-23,25-28H2,1-14H3/b53-36+/t29-,30+,31+,32-,33+,34-,37-,38+,40-,41+,42-,43-,44-,45+,47-,48+,49+,50+/m0/s1