2-[4-cyclohexylsulfanyl-2-[(2-ethanoylsulfanyl-3-methyl-butyl)carbamoyl]pyrrolidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-cyclohexylsulfanyl-2-[(2-ethanoylsulfanyl-3-methyl-butyl)carbamoyl]pyrrolidin-1-yl]ethanoic acid Openeye Name: 2-[2-[(2-acetylsulfanyl-3-methyl-butyl)carbamoyl]-4-cyclohexylsulfanyl-pyrrolidin-1-yl]acetic acid CAS Name: 2-[2-[[[2-(acetylthio)-3-methylbutyl]amino]-oxomethyl]-4-(cyclohexylthio)-1-pyrrolidinyl]acetic acid IUPAC Name: 2-[2-[(2-acetylsulfanyl-3-methylbutyl)carbamoyl]-4-cyclohexylsulfanylpyrrolidin-1-yl]acetic acid Traditional Name: 2-[2-[[2-(acetylthio)-3-methyl-butyl]carbamoyl]-4-(cyclohexylthio)pyrrolidino]acetic acid Formula: C20H34N2O4S2 MolecularWeight: 430.62496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1CC(CN1CC(=O)O)SC2CCCCC2)SC(=O)C

Isomeric SMILES

CC(C)C(CNC(=O)C1CC(CN1CC(=O)O)SC2CCCCC2)SC(=O)C

InChI

InChI=1S/C20H34N2O4S2/c1-13(2)18(27-14(3)23)10-21-20(26)17-9-16(11-22(17)12-19(24)25)28-15-7-5-4-6-8-15/h13,15-18H,4-12H2,1-3H3,(H,21,26)(H,24,25)