7-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-17-(2-imidazol-1-ylethylsulfanyl)-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone

Systemtic Name: 7-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-17-(2-imidazol-1-ylethylsulfanyl)-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Openeye Name: 7-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-17-(2-imidazol-1-ylethylsulfanyl)-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone CAS Name: 7-[[4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-17-[2-(1-imidazolyl)ethylthio]-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone IUPAC Name: 7-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-17-(2-imidazol-1-ylethylsulfanyl)-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Traditional Name: 7-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-17-(2-imidazol-1-ylethylthio)-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C37H59N3O10S MolecularWeight: 737.94346

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)C(C(=O)O2)SCCN4C=CN=C4)C

Isomeric SMILES

CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)C(C(=O)O2)SCCN4C=CN=C4)C

InChI

InChI=1S/C37H59N3O10S/c1-12-26-37(8)27(31(34(45)50-37)51-16-15-40-14-13-38-19-40)22(4)28(41)20(2)18-36(7,46-11)32(23(5)29(42)24(6)33(44)48-26)49-35-30(43)25(39(9)10)17-21(3)47-35/h13-14,19-27,30-32,35,43H,12,15-18H2,1-11H3