2-azanyl-3-[2,3-di(hexanoyloxy)propylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2,3-di(hexanoyloxy)propylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[2,3-di(hexanoyloxy)propylsulfanyl]propanoic acid CAS Name: 2-amino-3-[2,3-bis(1-oxohexoxy)propylthio]propanoic acid IUPAC Name: 2-amino-3-[2,3-di(hexanoyloxy)propylsulfanyl]propanoic acid Traditional Name: 2-amino-3-(2,3-dicaproyloxypropylthio)propionic acid Formula: C18H33NO6S MolecularWeight: 391.52272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC(CSCC(C(=O)O)N)OC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)OCC(CSCC(C(=O)O)N)OC(=O)CCCCC

InChI

InChI=1S/C18H33NO6S/c1-3-5-7-9-16(20)24-11-14(12-26-13-15(19)18(22)23)25-17(21)10-8-6-4-2/h14-15H,3-13,19H2,1-2H3,(H,22,23)