N-[2-[10-(4,6-dimethyl-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]-3-isoquinolin-4-yl-propanamide

Systemtic Name: N-[2-[10-(4,6-dimethyl-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]-3-isoquinolin-4-yl-propanamide Openeye Name: 3-(4-isoquinolyl)-N-[2-[3,4,9-trihydroxy-10-(3-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-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]propanamide CAS Name: 3-(4-isoquinolinyl)-N-[2-[3,4,9-trihydroxy-10-[(3-hydroxy-4,6-dimethyl-2-oxanyl)oxy]-12-[(5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl)oxy]-3,5,7,9,13-pentamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]propanamide IUPAC Name: 3-isoquinolin-4-yl-N-[2-[3,4,9-trihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,13-pentamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]propanamide Traditional Name: 3-(4-isoquinolyl)-N-[2-[3,4,9-trihydroxy-10-(3-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-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]propionamide Formula: C47H72N2O14 MolecularWeight: 889.07958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(OC(C1O)OC2CC(C(C(=O)OC(C(C(C(C(=O)C(CC2(C)O)C)C)O)(C)O)CCNC(=O)CCC3=CN=CC4=CC=CC=C43)C)OC5CC(C(C(O5)C)O)(C)OC)C

Isomeric SMILES

CC1CC(OC(C1O)OC2CC(C(C(=O)OC(C(C(C(C(=O)C(CC2(C)O)C)C)O)(C)O)CCNC(=O)CCC3=CN=CC4=CC=CC=C43)C)OC5CC(C(C(O5)C)O)(C)OC)C

InChI

InChI=1S/C47H72N2O14/c1-25-19-27(3)59-44(40(25)52)63-36-20-34(61-38-22-46(8,58-10)42(54)30(6)60-38)28(4)43(55)62-35(47(9,57)41(53)29(5)39(51)26(2)21-45(36,7)56)17-18-49-37(50)16-15-32-24-48-23-31-13-11-12-14-33(31)32/h11-14,23-30,34-36,38,40-42,44,52-54,56-57H,15-22H2,1-10H3,(H,49,50)