[2-(heptadecylcarbamoyloxy)-3-[3-[3-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]propyl] N-heptadecylcarbamate

Systemtic Name: [2-(heptadecylcarbamoyloxy)-3-[3-[3-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]propyl] N-heptadecylcarbamate Openeye Name: [2-(heptadecylcarbamoyloxy)-3-[3-[3-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-3-oxo-propyl]sulfanylpropanoylamino]propyl] N-heptadecylcarbamate CAS Name: N-heptadecylcarbamic acid [3-[[3-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]thio]-1-oxopropyl]amino]-2-[(heptadecylamino)-oxomethoxy]propyl] ester IUPAC Name: [3-[3-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]sulfanylpropanoylamino]-2-(heptadecylcarbamoyloxy)propyl] N-heptadecylcarbamate Traditional Name: N-heptadecylcarbamic acid [2-(heptadecylcarbamoyloxy)-3-[3-[[3-[(2-hydroxy-1,1-dimethylol-ethyl)amino]-3-keto-propyl]thio]propanoylamino]propyl] ester Formula: C49H96N4O9S MolecularWeight: 917.37294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)OCC(CNC(=O)CCSCCC(=O)NC(CO)(CO)CO)OC(=O)NCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)OCC(CNC(=O)CCSCCC(=O)NC(CO)(CO)CO)OC(=O)NCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C49H96N4O9S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-50-47(59)61-40-44(39-52-45(57)33-37-63-38-34-46(58)53-49(41-54,42-55)43-56)62-48(60)51-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h44,54-56H,3-43H2,1-2H3,(H,50,59)(H,51,60)(H,52,57)(H,53,58)