1-(3-hexadecylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3-hexadecylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-hexadecylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(hexadecylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-hexadecylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(cetylthio)-2-methyl-propanoyl]proline Formula: C25H47NO3S MolecularWeight: 441.71058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(C)C(=O)N1CCCC1C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(C)C(=O)N1CCCC1C(=O)O

InChI

InChI=1S/C25H47NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-21-22(2)24(27)26-19-17-18-23(26)25(28)29/h22-23H,3-21H2,1-2H3,(H,28,29)