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

Systemtic Name: 3-[2,3-di(decanoyloxy)propylsulfanyl]-2-(octanoylamino)propanoic acid Openeye Name: 3-[2,3-di(decanoyloxy)propylsulfanyl]-2-(octanoylamino)propanoic acid CAS Name: 3-[2,3-bis(1-oxodecoxy)propylthio]-2-(1-oxooctylamino)propanoic acid IUPAC Name: 3-[2,3-di(decanoyloxy)propylsulfanyl]-2-(octanoylamino)propanoic acid Traditional Name: 2-(caprylylamino)-3-(2,3-dicapryloxypropylthio)propionic acid Formula: C34H63NO7S MolecularWeight: 629.93152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OCC(CSCC(C(=O)O)NC(=O)CCCCCCC)OC(=O)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC(=O)OCC(CSCC(C(=O)O)NC(=O)CCCCCCC)OC(=O)CCCCCCCCC

InChI

InChI=1S/C34H63NO7S/c1-4-7-10-13-15-18-21-24-32(37)41-26-29(42-33(38)25-22-19-16-14-11-8-5-2)27-43-28-30(34(39)40)35-31(36)23-20-17-12-9-6-3/h29-30H,4-28H2,1-3H3,(H,35,36)(H,39,40)