N-[2-[10-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-12-(4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl)oxy-3,5,7,9,13-pentamethyl-3,4,9-tris(oxidanyl)-6,14-bis(oxidanylidene)-1-oxacyclotetradec-2-yl]ethyl]-2-isoquinolin-4-yl-ethanamide

Systemtic Name: N-[2-[10-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-12-(4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl)oxy-3,5,7,9,13-pentamethyl-3,4,9-tris(oxidanyl)-6,14-bis(oxidanylidene)-1-oxacyclotetradec-2-yl]ethyl]-2-isoquinolin-4-yl-ethanamide Openeye Name: N-[2-[10-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4,9-trihydroxy-12-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-3,5,7,9,13-pentamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-(4-isoquinolyl)acetamide CAS Name: N-[2-[10-[[4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-3,4,9-trihydroxy-12-[(5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl)oxy]-3,5,7,9,13-pentamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-(4-isoquinolinyl)acetamide IUPAC Name: N-[2-[10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3,4,9-trihydroxy-12-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,13-pentamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-isoquinolin-4-ylacetamide Traditional Name: N-[2-[10-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4,9-trihydroxy-12-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-6,14-diketo-3,5,7,9,13-pentamethyl-oxacyclotetradec-2-yl]ethyl]-2-(4-isoquinolyl)acetamide Formula: C47H73N3O14 MolecularWeight: 904.09422

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(O1)OC2CC(C(C(=O)OC(C(C(C(C(=O)C(CC2(C)O)C)C)O)(C)O)CCNC(=O)CC3=CN=CC4=CC=CC=C43)C)OC5CC(C(C(O5)C)O)(C)OC)O)N(C)C

Isomeric SMILES

CC1CC(C(C(O1)OC2CC(C(C(=O)OC(C(C(C(C(=O)C(CC2(C)O)C)C)O)(C)O)CCNC(=O)CC3=CN=CC4=CC=CC=C43)C)OC5CC(C(C(O5)C)O)(C)OC)O)N(C)C

InChI

InChI=1S/C47H73N3O14/c1-25-21-45(6,57)36(64-44-40(53)33(50(9)10)18-26(2)60-44)20-34(62-38-22-46(7,59-11)42(55)29(5)61-38)27(3)43(56)63-35(47(8,58)41(54)28(4)39(25)52)16-17-49-37(51)19-31-24-48-23-30-14-12-13-15-32(30)31/h12-15,23-29,33-36,38,40-42,44,53-55,57-58H,16-22H2,1-11H3,(H,49,51)