(2S)-N-[(4-azanylcyclohexyl)methyl]-1-[(2R,3S)-1-methylsulfonyl-3-phenyl-pyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-azanylcyclohexyl)methyl]-1-[(2R,3S)-1-methylsulfonyl-3-phenyl-pyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methylsulfonyl-3-phenyl-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[[(2R,3S)-1-methylsulfonyl-3-phenyl-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methylsulfonyl-3-phenylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-mesyl-3-phenyl-prolyl]pyrrolidine-2-carboxamide Formula: C24H36N4O4S MolecularWeight: 476.63204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(C1C(=O)N2CCCC2C(=O)NCC3CCC(CC3)N)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CC[C@H]([C@@H]1C(=O)N2CCC[C@H]2C(=O)NCC3CCC(CC3)N)C4=CC=CC=C4

InChI

InChI=1S/C24H36N4O4S/c1-33(31,32)28-15-13-20(18-6-3-2-4-7-18)22(28)24(30)27-14-5-8-21(27)23(29)26-16-17-9-11-19(25)12-10-17/h2-4,6-7,17,19-22H,5,8-16,25H2,1H3,(H,26,29)/t17?,19?,20-,21-,22+/m0/s1