bis(phenylmethyl) 3-[3-(8-benzamidooctanoylamino)-6-(hydroxymethyl)-5-oxidanyl-4-tetradecanoyloxy-oxan-2-yl]oxypentanedioate

Systemtic Name: bis(phenylmethyl) 3-[3-(8-benzamidooctanoylamino)-6-(hydroxymethyl)-5-oxidanyl-4-tetradecanoyloxy-oxan-2-yl]oxypentanedioate Openeye Name: dibenzyl 3-[3-(8-benzamidooctanoylamino)-5-hydroxy-6-(hydroxymethyl)-4-tetradecanoyloxy-tetrahydropyran-2-yl]oxypentanedioate CAS Name: 3-[[3-[(8-benzamido-1-oxooctyl)amino]-5-hydroxy-6-(hydroxymethyl)-4-(1-oxotetradecoxy)-2-oxanyl]oxy]pentanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 3-[3-(8-benzamidooctanoylamino)-5-hydroxy-6-(hydroxymethyl)-4-tetradecanoyloxyoxan-2-yl]oxypentanedioate Traditional Name: 3-[3-(8-benzamidooctanoylamino)-5-hydroxy-6-methylol-4-tetradecanoyloxy-tetrahydropyran-2-yl]oxyglutaric acid dibenzyl ester Formula: C54H76N2O12 MolecularWeight: 945.18744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1C(C(OC(C1O)CO)OC(CC(=O)OCC2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3)NC(=O)CCCCCCCNC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC1C(C(OC(C1O)CO)OC(CC(=O)OCC2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3)NC(=O)CCCCCCCNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C54H76N2O12/c1-2-3-4-5-6-7-8-9-10-13-25-34-47(59)68-52-50(56-46(58)33-24-12-11-14-26-35-55-53(63)43-31-22-17-23-32-43)54(67-45(38-57)51(52)62)66-44(36-48(60)64-39-41-27-18-15-19-28-41)37-49(61)65-40-42-29-20-16-21-30-42/h15-23,27-32,44-45,50-52,54,57,62H,2-14,24-26,33-40H2,1H3,(H,55,63)(H,56,58)