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

Systemtic Name: 1-(2-methyl-3-octadecanethioylsulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-methyl-3-octadecanethioylsulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[2-methyl-1-oxo-3-(1-sulfanylideneoctadecylthio)propyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-methyl-3-octadecanethioylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-methyl-3-(octadecanethioylthio)propanoyl]proline Formula: C27H49NO3S2 MolecularWeight: 499.81286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=S)SCC(C)C(=O)N1CCCC1C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=S)SCC(C)C(=O)N1CCCC1C(=O)O

InChI

InChI=1S/C27H49NO3S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(32)33-22-23(2)26(29)28-21-18-19-24(28)27(30)31/h23-24H,3-22H2,1-2H3,(H,30,31)