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

Systemtic Name: 3-[2,3-di(octanoyloxy)propylsulfanyl]-2-(octanoylamino)propanoic acid Openeye Name: 3-[2,3-di(octanoyloxy)propylsulfanyl]-2-(octanoylamino)propanoic acid CAS Name: 3-[2,3-bis(1-oxooctoxy)propylthio]-2-(1-oxooctylamino)propanoic acid IUPAC Name: 3-[2,3-di(octanoyloxy)propylsulfanyl]-2-(octanoylamino)propanoic acid Traditional Name: 2-(caprylylamino)-3-(2,3-dicaprylyloxypropylthio)propionic acid Formula: C30H55NO7S MolecularWeight: 573.8252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CSCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)NC(CSCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC)C(=O)O

InChI

InChI=1S/C30H55NO7S/c1-4-7-10-13-16-19-27(32)31-26(30(35)36)24-39-23-25(38-29(34)21-18-15-12-9-6-3)22-37-28(33)20-17-14-11-8-5-2/h25-26H,4-24H2,1-3H3,(H,31,32)(H,35,36)