7-[methylsulfonyl-(4-oxidanyl-5-propylsulfanyl-pentyl)amino]heptanoic acid

Systemtic Name: 7-[methylsulfonyl-(4-oxidanyl-5-propylsulfanyl-pentyl)amino]heptanoic acid Openeye Name: 7-[(4-hydroxy-5-propylsulfanyl-pentyl)-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[[4-hydroxy-5-(propylthio)pentyl]-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[(4-hydroxy-5-propylsulfanylpentyl)-methylsulfonylamino]heptanoic acid Traditional Name: 7-[[4-hydroxy-5-(propylthio)pentyl]-mesyl-amino]enanthic acid Formula: C16H33NO5S2 MolecularWeight: 383.56692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSCC(CCCN(CCCCCCC(=O)O)S(=O)(=O)C)O

Isomeric SMILES

CCCSCC(CCCN(CCCCCCC(=O)O)S(=O)(=O)C)O

InChI

InChI=1S/C16H33NO5S2/c1-3-13-23-14-15(18)9-8-12-17(24(2,21)22)11-7-5-4-6-10-16(19)20/h15,18H,3-14H2,1-2H3,(H,19,20)