3-[2,3-di(dodecanoyloxy)propylsulfanyl]-2-(octanoylamino)propanoic acid

Systemtic Name: 3-[2,3-di(dodecanoyloxy)propylsulfanyl]-2-(octanoylamino)propanoic acid Openeye Name: 3-[2,3-di(dodecanoyloxy)propylsulfanyl]-2-(octanoylamino)propanoic acid CAS Name: 3-[2,3-bis(1-oxododecoxy)propylthio]-2-(1-oxooctylamino)propanoic acid IUPAC Name: 3-[2,3-di(dodecanoyloxy)propylsulfanyl]-2-(octanoylamino)propanoic acid Traditional Name: 2-(caprylylamino)-3-(2,3-dilauroyloxypropylthio)propionic acid Formula: C38H71NO7S MolecularWeight: 686.03784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC(CSCC(C(=O)O)NC(=O)CCCCCCC)OC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC(CSCC(C(=O)O)NC(=O)CCCCCCC)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C38H71NO7S/c1-4-7-10-13-15-17-19-22-25-28-36(41)45-30-33(46-37(42)29-26-23-20-18-16-14-11-8-5-2)31-47-32-34(38(43)44)39-35(40)27-24-21-12-9-6-3/h33-34H,4-32H2,1-3H3,(H,39,40)(H,43,44)