N-[(4-azanylcyclohexyl)methyl]-1-[3-ethylsulfanyl-3-methyl-2-(methylsulfonylamino)butanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-azanylcyclohexyl)methyl]-1-[3-ethylsulfanyl-3-methyl-2-(methylsulfonylamino)butanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-aminocyclohexyl)methyl]-1-[3-ethylsulfanyl-2-(methanesulfonamido)-3-methyl-butanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-aminocyclohexyl)methyl]-1-[3-(ethylthio)-2-(methanesulfonamido)-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-aminocyclohexyl)methyl]-1-[3-ethylsulfanyl-2-(methanesulfonamido)-3-methylbutanoyl]pyrrolidine-2-carboxamide Traditional Name: N-[(4-aminocyclohexyl)methyl]-1-[3-(ethylthio)-2-(methanesulfonamido)-3-methyl-butanoyl]pyrrolidine-2-carboxamide Formula: C20H38N4O4S2 MolecularWeight: 462.67012

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)(C)C(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)N)NS(=O)(=O)C

Isomeric SMILES

CCSC(C)(C)C(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)N)NS(=O)(=O)C

InChI

InChI=1S/C20H38N4O4S2/c1-5-29-20(2,3)17(23-30(4,27)28)19(26)24-12-6-7-16(24)18(25)22-13-14-8-10-15(21)11-9-14/h14-17,23H,5-13,21H2,1-4H3,(H,22,25)