(phenylmethyl) 2-[[4-acetyloxy-6-hexylsulfanyl-5-(phenylcarbonyloxy)oxan-2-yl]methylcarbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[4-acetyloxy-6-hexylsulfanyl-5-(phenylcarbonyloxy)oxan-2-yl]methylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[(4-acetoxy-5-benzoyloxy-6-hexylsulfanyl-tetrahydropyran-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[4-acetyloxy-5-benzoyloxy-6-(hexylthio)-2-oxanyl]methylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-acetyloxy-5-benzoyloxy-6-hexylsulfanyloxan-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[4-acetoxy-5-benzoyloxy-6-(hexylthio)tetrahydropyran-2-yl]methylcarbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C34H44N2O8S MolecularWeight: 640.78676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1C(C(CC(O1)CNC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCSC1C(C(CC(O1)CNC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C34H44N2O8S/c1-3-4-5-12-20-45-33-30(44-32(39)26-16-10-7-11-17-26)29(42-24(2)37)21-27(43-33)22-35-31(38)28-18-13-19-36(28)34(40)41-23-25-14-8-6-9-15-25/h6-11,14-17,27-30,33H,3-5,12-13,18-23H2,1-2H3,(H,35,38)