(1S,2R,3R,8R,9R,10R,13Z,17R,20R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,6,8,10,17,20-hexamethyl-2-oxidanyl-18-(pyridin-2-ylmethyl)-4,11,16-trioxa-18-azabicyclo[8.6.5]henicos-13-ene-5,7-dione

Systemtic Name: (1S,2R,3R,8R,9R,10R,13Z,17R,20R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,6,8,10,17,20-hexamethyl-2-oxidanyl-18-(pyridin-2-ylmethyl)-4,11,16-trioxa-18-azabicyclo[8.6.5]henicos-13-ene-5,7-dione Openeye Name: (1S,2R,3R,8R,9R,10R,13Z,17R,20R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,17,20-hexamethyl-18-(2-pyridylmethyl)-4,11,16-trioxa-18-azabicyclo[8.6.5]henicos-13-ene-5,7-dione CAS Name: (1S,2R,3R,8R,9R,10R,13Z,17R,20R)-9-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-3-ethyl-2-hydroxy-2,6,8,10,17,20-hexamethyl-18-(2-pyridinylmethyl)-4,11,16-trioxa-18-azabicyclo[8.6.5]heneicos-13-ene-5,7-dione IUPAC Name: (1S,2R,3R,8R,9R,10R,13Z,17R,20R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,17,20-hexamethyl-18-(pyridin-2-ylmethyl)-4,11,16-trioxa-18-azabicyclo[8.6.5]henicos-13-ene-5,7-dione Traditional Name: (1S,2R,3R,8R,9R,10R,13Z,17R,20R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,17,20-hexamethyl-18-(2-pyridylmethyl)-4,11,16-trioxa-18-azabicyclo[8.6.5]heneicos-13-ene-5,7-quinone Formula: C39H63N3O9 MolecularWeight: 717.93222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2C(N(CC(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(OCC=CCO2)C)C)CC4=CC=CC=N4)C)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]2[C@H](N(C[C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C=C\CO2)C)C)CC4=CC=CC=N4)C)(C)O

InChI

InChI=1S/C39H63N3O9/c1-11-31-39(8,46)35-28(6)42(23-29-16-12-13-17-40-29)22-24(2)21-38(7,48-19-15-14-18-47-35)34(26(4)32(43)27(5)36(45)50-31)51-37-33(44)30(41(9)10)20-25(3)49-37/h12-17,24-28,30-31,33-35,37,44,46H,11,18-23H2,1-10H3/b15-14-/t24-,25-,26+,27?,28-,30+,31-,33-,34-,35+,37+,38-,39-/m1/s1