propyl N-[2-(aminomethyl)-6-cyclobutylsulfanyl-2-[1-(3-methylbutanoyl)pyrrolidin-2-yl]carbonyl-cyclohexyl]carbamate

Systemtic Name: propyl N-[2-(aminomethyl)-6-cyclobutylsulfanyl-2-[1-(3-methylbutanoyl)pyrrolidin-2-yl]carbonyl-cyclohexyl]carbamate Openeye Name: propyl N-[2-(aminomethyl)-6-cyclobutylsulfanyl-2-[1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]cyclohexyl]carbamate CAS Name: N-[2-(aminomethyl)-6-(cyclobutylthio)-2-[[1-(3-methyl-1-oxobutyl)-2-pyrrolidinyl]-oxomethyl]cyclohexyl]carbamic acid propyl ester IUPAC Name: propyl N-[2-(aminomethyl)-6-cyclobutylsulfanyl-2-[1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]cyclohexyl]carbamate Traditional Name: N-[2-(aminomethyl)-6-(cyclobutylthio)-2-(1-isovalerylprolyl)cyclohexyl]carbamic acid propyl ester Formula: C25H43N3O4S MolecularWeight: 481.69162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)NC1C(CCCC1(CN)C(=O)C2CCCN2C(=O)CC(C)C)SC3CCC3

Isomeric SMILES

CCCOC(=O)NC1C(CCCC1(CN)C(=O)C2CCCN2C(=O)CC(C)C)SC3CCC3

InChI

InChI=1S/C25H43N3O4S/c1-4-14-32-24(31)27-22-20(33-18-8-5-9-18)11-6-12-25(22,16-26)23(30)19-10-7-13-28(19)21(29)15-17(2)3/h17-20,22H,4-16,26H2,1-3H3,(H,27,31)