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-(quinolin-5-ylamino)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-(quinolin-5-ylamino)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-(5-quinolylamino)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-(5-quinolinylamino)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-(quinolin-5-ylamino)acetamide 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-(5-quinolylamino)acetamide Formula: C47H74N4O14 MolecularWeight: 919.10886

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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)CNC3=CC=CC4=C3C=CC=N4)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)CNC3=CC=CC4=C3C=CC=N4)C)OC5CC(C(C(O5)C)O)(C)OC)O)N(C)C

InChI

InChI=1S/C47H74N4O14/c1-25-22-45(6,58)36(65-44-40(54)33(51(9)10)20-26(2)61-44)21-34(63-38-23-46(7,60-11)42(56)29(5)62-38)27(3)43(57)64-35(47(8,59)41(55)28(4)39(25)53)17-19-49-37(52)24-50-32-16-12-15-31-30(32)14-13-18-48-31/h12-16,18,25-29,33-36,38,40-42,44,50,54-56,58-59H,17,19-24H2,1-11H3,(H,49,52)