5-[2-ethylsulfanylethyl(methyl)amino]-N-[2-[2-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)ethanoylamino]ethyl]-4-(2-sulfanylethanoylamino)pentanamide

Systemtic Name: 5-[2-ethylsulfanylethyl(methyl)amino]-N-[2-[2-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)ethanoylamino]ethyl]-4-(2-sulfanylethanoylamino)pentanamide Openeye Name: 5-[2-ethylsulfanylethyl(methyl)amino]-N-[2-[[2-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)acetyl]amino]ethyl]-4-[(2-sulfanylacetyl)amino]pentanamide CAS Name: 5-[2-(ethylthio)ethyl-methylamino]-4-[(2-mercapto-1-oxoethyl)amino]-N-[2-[[1-oxo-2-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)ethyl]amino]ethyl]pentanamide IUPAC Name: 5-[2-ethylsulfanylethyl(methyl)amino]-N-[2-[[2-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)acetyl]amino]ethyl]-4-[(2-sulfanylacetyl)amino]pentanamide Traditional Name: 5-[2-(ethylthio)ethyl-methyl-amino]-N-[2-[[2-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)acetyl]amino]ethyl]-4-[(2-mercaptoacetyl)amino]valeramide Formula: C21H38N6O4S3 MolecularWeight: 534.75922

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCN(C)CC(CCC(=O)NCCNC(=O)CC1C2C(CS1)NC(=O)N2)NC(=O)CS

Isomeric SMILES

CCSCCN(C)CC(CCC(=O)NCCNC(=O)CC1C2C(CS1)NC(=O)N2)NC(=O)CS

InChI

InChI=1S/C21H38N6O4S3/c1-3-33-9-8-27(2)11-14(24-19(30)12-32)4-5-17(28)22-6-7-23-18(29)10-16-20-15(13-34-16)25-21(31)26-20/h14-16,20,32H,3-13H2,1-2H3,(H,22,28)(H,23,29)(H,24,30)(H2,25,26,31)