[(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-iodanylbenzoate

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-iodanylbenzoate 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-iodobenzoate CAS Name: 3-iodobenzoic 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-iodobenzoate Traditional Name: 3-iodobenzoic 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: C37H49IN2O7 MolecularWeight: 760.69863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OC2C=C(CC(C2O1)OC(=O)C3=CC(=CC=C3)I)C(=O)N(C)C(CC4=CC=CC=C4)C(=O)NCCO)CCCCC

Isomeric SMILES

CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC(=CC=C3)I)C(=O)N(C)[C@H](CC4=CC=CC=C4)C(=O)NCCO)CCCCC

InChI

InChI=1S/C37H49IN2O7/c1-4-6-11-18-37(19-12-7-5-2)46-32-25-28(24-31(33(32)47-37)45-36(44)27-16-13-17-29(38)23-27)35(43)40(3)30(34(42)39-20-21-41)22-26-14-9-8-10-15-26/h8-10,13-17,23,25,30-33,41H,4-7,11-12,18-22,24H2,1-3H3,(H,39,42)/t30-,31-,32-,33+/m1/s1