dimethyl 3-[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(8-benzamidooctanoylamino)oxan-2-yl]oxypentanedioate

Systemtic Name: dimethyl 3-[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(8-benzamidooctanoylamino)oxan-2-yl]oxypentanedioate Openeye Name: dimethyl 3-[4,5-diacetoxy-6-(acetoxymethyl)-3-(8-benzamidooctanoylamino)tetrahydropyran-2-yl]oxypentanedioate CAS Name: 3-[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-[(8-benzamido-1-oxooctyl)amino]-2-oxanyl]oxy]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(8-benzamidooctanoylamino)oxan-2-yl]oxypentanedioate Traditional Name: 3-[4,5-diacetoxy-6-(acetoxymethyl)-3-(8-benzamidooctanoylamino)tetrahydropyran-2-yl]oxyglutaric acid dimethyl ester Formula: C34H48N2O14 MolecularWeight: 708.74992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC(CC(=O)OC)CC(=O)OC)NC(=O)CCCCCCCNC(=O)C2=CC=CC=C2)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)OC(CC(=O)OC)CC(=O)OC)NC(=O)CCCCCCCNC(=O)C2=CC=CC=C2)OC(=O)C)OC(=O)C

InChI

InChI=1S/C34H48N2O14/c1-21(37)46-20-26-31(47-22(2)38)32(48-23(3)39)30(34(50-26)49-25(18-28(41)44-4)19-29(42)45-5)36-27(40)16-12-7-6-8-13-17-35-33(43)24-14-10-9-11-15-24/h9-11,14-15,25-26,30-32,34H,6-8,12-13,16-20H2,1-5H3,(H,35,43)(H,36,40)