AC1NR93W

[6-[2-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[2-(2-hydroxyethoxy)ethenyl]benzoate

Also Known As: SAD-E_000097|6-{2-[(5-tert-Butoxy-1-hydroxy-5-oxopentan-2-yl)carbamoyl]pyrrolidine-1-carbonyl}-2,2-dipentyl-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxol-4-yl 3-[2-(2-hydroxyethoxy)ethenyl]benzoate|[6-[2-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[2-(2-hydroxyethoxy)ethenyl]benzoate|6-{2-[(5-tert-Butoxy-1-hydroxy-5-oxopentan-2-yl)carbamoyl]pyrrolidine-1-carbonyl}-2,2-dipentyl-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxol-4-yl 3-[2-(2-hydroxyethoxy)ethen-1-yl]benzoate

Molecular Formula	C43H64N2O11
Molecular Weight	784.451 g/mol
LogP	5.7526
Topological Polar Surface Area	170.16 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	11
Rotatable Bonds	21
Exact Mass	784.451
Monoisotopic Mass	784.451
Heavy Atoms	56
Complexity	1508.9224

Chemical Identifiers

CAS Number	6099-85-0
SMILES	CCCCCC1(OC2C=C(CC(C2O1)OC(=O)C3=CC=CC(=C3)C=COCCO)C(=O)N4CCCC4C(=O)NC(CCC(=O)OC(C)(C)C)CO)CCCCC