[(2R,3R,4S,5R,6R)-6-[3-(2-bromanylethanoylamino)propoxy]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5R,6R)-6-[3-(2-bromanylethanoylamino)propoxy]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[3-[(2-bromoacetyl)amino]propoxy]tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[3-[(2-bromo-1-oxoethyl)amino]propoxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[3-[(2-bromoacetyl)amino]propoxy]oxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[3-[(2-bromoacetyl)amino]propoxy]tetrahydropyran-2-yl]methyl ester Formula: C39H36BrNO11 MolecularWeight: 774.60724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OCCCNC(=O)CBr)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCCNC(=O)CBr)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C39H36BrNO11/c40-24-31(42)41-22-13-23-47-39-34(52-38(46)29-20-11-4-12-21-29)33(51-37(45)28-18-9-3-10-19-28)32(50-36(44)27-16-7-2-8-17-27)30(49-39)25-48-35(43)26-14-5-1-6-15-26/h1-12,14-21,30,32-34,39H,13,22-25H2,(H,41,42)/t30-,32-,33+,34-,39-/m1/s1