1-(2-acetamido-4-methylsulfonyl-butanoyl)-4-(cyclohexylcarbamoylamino)pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-acetamido-4-methylsulfonyl-butanoyl)-4-(cyclohexylcarbamoylamino)pyrrolidine-2-carboxamide Openeye Name: 1-(2-acetamido-4-methylsulfonyl-butanoyl)-4-(cyclohexylcarbamoylamino)pyrrolidine-2-carboxamide CAS Name: 1-(2-acetamido-4-methylsulfonyl-1-oxobutyl)-4-[[(cyclohexylamino)-oxomethyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-acetamido-4-methylsulfonylbutanoyl)-4-(cyclohexylcarbamoylamino)pyrrolidine-2-carboxamide Traditional Name: 1-(2-acetamido-4-mesyl-butanoyl)-4-(cyclohexylcarbamoylamino)pyrrolidine-2-carboxamide Formula: C19H33N5O6S MolecularWeight: 459.56022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCS(=O)(=O)C)C(=O)N1CC(CC1C(=O)N)NC(=O)NC2CCCCC2

Isomeric SMILES

CC(=O)NC(CCS(=O)(=O)C)C(=O)N1CC(CC1C(=O)N)NC(=O)NC2CCCCC2

InChI

InChI=1S/C19H33N5O6S/c1-12(25)21-15(8-9-31(2,29)30)18(27)24-11-14(10-16(24)17(20)26)23-19(28)22-13-6-4-3-5-7-13/h13-16H,3-11H2,1-2H3,(H2,20,26)(H,21,25)(H2,22,23,28)