ethyl N-[2-(aminomethyl)-1-butanoyl-6-methyl-6-propan-2-ylsulfanyl-2-pyrrolidin-2-ylcarbonyl-cyclohexyl]carbamate

Systemtic Name: ethyl N-[2-(aminomethyl)-1-butanoyl-6-methyl-6-propan-2-ylsulfanyl-2-pyrrolidin-2-ylcarbonyl-cyclohexyl]carbamate Openeye Name: ethyl N-[2-(aminomethyl)-1-butanoyl-6-isopropylsulfanyl-6-methyl-2-(pyrrolidine-2-carbonyl)cyclohexyl]carbamate CAS Name: N-[2-(aminomethyl)-6-methyl-1-(1-oxobutyl)-2-[oxo(2-pyrrolidinyl)methyl]-6-(propan-2-ylthio)cyclohexyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-(aminomethyl)-1-butanoyl-6-methyl-6-propan-2-ylsulfanyl-2-(pyrrolidine-2-carbonyl)cyclohexyl]carbamate Traditional Name: N-[2-(aminomethyl)-1-butyryl-6-(isopropylthio)-6-methyl-2-prolyl-cyclohexyl]carbamic acid ethyl ester Formula: C23H41N3O4S MolecularWeight: 455.65434

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1(C(CCCC1(CN)C(=O)C2CCCN2)(C)SC(C)C)NC(=O)OCC

Isomeric SMILES

CCCC(=O)C1(C(CCCC1(CN)C(=O)C2CCCN2)(C)SC(C)C)NC(=O)OCC

InChI

InChI=1S/C23H41N3O4S/c1-6-10-18(27)23(26-20(29)30-7-2)21(5,31-16(3)4)12-9-13-22(23,15-24)19(28)17-11-8-14-25-17/h16-17,25H,6-15,24H2,1-5H3,(H,26,29)