[(3R,4R,5S,6R)-2-acetyloxy-5-diphenoxyphosphoryloxy-3-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-6-[2,2,2-tris(chloranyl)ethoxycarbonyloxymethyl]oxan-4-yl] 2-(dodecanoylamino)ethanoate

Systemtic Name: [(3R,4R,5S,6R)-2-acetyloxy-5-diphenoxyphosphoryloxy-3-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-6-[2,2,2-tris(chloranyl)ethoxycarbonyloxymethyl]oxan-4-yl] 2-(dodecanoylamino)ethanoate Openeye Name: [(3R,4R,5S,6R)-2-acetoxy-5-diphenoxyphosphoryloxy-3-(2,2,2-trichloroethoxycarbonylamino)-6-(2,2,2-trichloroethoxycarbonyloxymethyl)tetrahydropyran-4-yl] 2-(dodecanoylamino)acetate CAS Name: 2-(1-oxododecylamino)acetic acid [(3R,4R,5S,6R)-2-acetyloxy-5-diphenoxyphosphoryloxy-6-[[oxo(2,2,2-trichloroethoxy)methoxy]methyl]-3-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-4-oxanyl] ester IUPAC Name: [(3R,4R,5S,6R)-2-acetyloxy-5-diphenoxyphosphoryloxy-3-(2,2,2-trichloroethoxycarbonylamino)-6-(2,2,2-trichloroethoxycarbonyloxymethyl)oxan-4-yl] 2-(dodecanoylamino)acetate Traditional Name: 2-(lauroylamino)acetic acid [(3R,4R,5S,6R)-2-acetoxy-5-diphenoxyphosphoryloxy-3-(2,2,2-trichloroethoxycarbonylamino)-6-(2,2,2-trichloroethoxycarbonyloxymethyl)tetrahydropyran-4-yl] ester Formula: C40H51Cl6N2O15P MolecularWeight: 1043.529101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCC(=O)OC1C(C(OC(C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)COC(=O)OCC(Cl)(Cl)Cl)OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CCCCCCCCCCCC(=O)NCC(=O)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)OCC(Cl)(Cl)Cl)OC(=O)C)COC(=O)OCC(Cl)(Cl)Cl)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C40H51Cl6N2O15P/c1-3-4-5-6-7-8-9-10-17-22-31(50)47-23-32(51)60-35-33(48-37(52)56-25-39(41,42)43)36(58-27(2)49)59-30(24-55-38(53)57-26-40(44,45)46)34(35)63-64(54,61-28-18-13-11-14-19-28)62-29-20-15-12-16-21-29/h11-16,18-21,30,33-36H,3-10,17,22-26H2,1-2H3,(H,47,50)(H,48,52)/t30-,33-,34-,35-,36?/m1/s1