5-[4-[2-[2-[2-(3-ethanoylsulfanylpropanoylamino)ethoxy]ethoxy]ethylcarbamoyl]-2-oxidanylidene-3,3a,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid

Systemtic Name: 5-[4-[2-[2-[2-(3-ethanoylsulfanylpropanoylamino)ethoxy]ethoxy]ethylcarbamoyl]-2-oxidanylidene-3,3a,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid Openeye Name: 5-[4-[2-[2-[2-(3-acetylsulfanylpropanoylamino)ethoxy]ethoxy]ethylcarbamoyl]-2-oxo-3,3a,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid CAS Name: 5-[4-[[2-[2-[2-[[3-(acetylthio)-1-oxopropyl]amino]ethoxy]ethoxy]ethylamino]-oxomethyl]-2-oxo-3,3a,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid IUPAC Name: 5-[4-[2-[2-[2-(3-acetylsulfanylpropanoylamino)ethoxy]ethoxy]ethylcarbamoyl]-2-oxo-3,3a,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid Traditional Name: 5-[4-[2-[2-[2-[3-(acetylthio)propanoylamino]ethoxy]ethoxy]ethylcarbamoyl]-2-keto-3,3a,6,6a-tetrahydro-1H-thien[3,4-d]imidazol-4-yl]valeric acid Formula: C22H36N4O8S2 MolecularWeight: 548.67324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)NCCOCCOCCNC(=O)C1(C2C(CS1)NC(=O)N2)CCCCC(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)NCCOCCOCCNC(=O)C1(C2C(CS1)NC(=O)N2)CCCCC(=O)O

InChI

InChI=1S/C22H36N4O8S2/c1-15(27)35-13-5-17(28)23-7-9-33-11-12-34-10-8-24-20(31)22(6-3-2-4-18(29)30)19-16(14-36-22)25-21(32)26-19/h16,19H,2-14H2,1H3,(H,23,28)(H,24,31)(H,29,30)(H2,25,26,32)