[(3aS,4R,7aR)-6-[[(2R)-1-(2-hydroxyethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-carbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethenyl]benzoate

Systemtic Name: [(3aS,4R,7aR)-6-[[(2R)-1-(2-hydroxyethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-carbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethenyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-[[(1R)-1-benzyl-2-(2-hydroxyethylamino)-2-oxo-ethyl]-methyl-carbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)vinyl]benzoate CAS Name: 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethenyl]benzoic acid [(3aS,4R,7aR)-6-[[[(2R)-1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylamino]-oxomethyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester IUPAC Name: [(3aS,4R,7aR)-6-[[(2R)-1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethenyl]benzoate Traditional Name: 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)vinyl]benzoic acid [(3aS,4R,7aR)-2,2-diamyl-6-[[(1R)-1-benzyl-2-(2-hydroxyethylamino)-2-keto-ethyl]-methyl-carbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester Formula: C45H60N2O8 MolecularWeight: 756.9665

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OC2C=C(CC(C2O1)OC(=O)C3=CC=CC(=C3)C=CC4CCC5C(C4)O5)C(=O)N(C)C(CC6=CC=CC=C6)C(=O)NCCO)CCCCC

Isomeric SMILES

CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC(=C3)C=CC4CCC5C(C4)O5)C(=O)N(C)[C@H](CC6=CC=CC=C6)C(=O)NCCO)CCCCC

InChI

InChI=1S/C45H60N2O8/c1-4-6-11-22-45(23-12-7-5-2)54-40-30-35(43(50)47(3)36(42(49)46-24-25-48)27-31-14-9-8-10-15-31)29-39(41(40)55-45)53-44(51)34-17-13-16-32(26-34)18-19-33-20-21-37-38(28-33)52-37/h8-10,13-19,26,30,33,36-41,48H,4-7,11-12,20-25,27-29H2,1-3H3,(H,46,49)/t33?,36-,37?,38?,39-,40-,41+/m1/s1