propyl N-[1-[2-[2-(aminomethyl)-2-cyano-cyclohexyl]carbonylpyrrolidin-1-yl]-3-methyl-1-oxidanylidene-3-propan-2-ylsulfanyl-butan-2-yl]carbamate

Systemtic Name: propyl N-[1-[2-[2-(aminomethyl)-2-cyano-cyclohexyl]carbonylpyrrolidin-1-yl]-3-methyl-1-oxidanylidene-3-propan-2-ylsulfanyl-butan-2-yl]carbamate Openeye Name: propyl N-[1-[2-[2-(aminomethyl)-2-cyano-cyclohexanecarbonyl]pyrrolidine-1-carbonyl]-2-isopropylsulfanyl-2-methyl-propyl]carbamate CAS Name: N-[1-[2-[[2-(aminomethyl)-2-cyanocyclohexyl]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxo-3-(propan-2-ylthio)butan-2-yl]carbamic acid propyl ester IUPAC Name: propyl N-[1-[2-[2-(aminomethyl)-2-cyanocyclohexanecarbonyl]pyrrolidin-1-yl]-3-methyl-1-oxo-3-propan-2-ylsulfanylbutan-2-yl]carbamate Traditional Name: N-[1-[2-[2-(aminomethyl)-2-cyano-cyclohexanecarbonyl]pyrrolidine-1-carbonyl]-2-(isopropylthio)-2-methyl-propyl]carbamic acid propyl ester Formula: C25H42N4O4S MolecularWeight: 494.69038

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)NC(C(=O)N1CCCC1C(=O)C2CCCCC2(CN)C#N)C(C)(C)SC(C)C

Isomeric SMILES

CCCOC(=O)NC(C(=O)N1CCCC1C(=O)C2CCCCC2(CN)C#N)C(C)(C)SC(C)C

InChI

InChI=1S/C25H42N4O4S/c1-6-14-33-23(32)28-21(24(4,5)34-17(2)3)22(31)29-13-9-11-19(29)20(30)18-10-7-8-12-25(18,15-26)16-27/h17-19,21H,6-15,26H2,1-5H3,(H,28,32)