(4S)-5-cyclohexyl-2,2-bis(fluoranyl)-4-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenyl-propanoyl]amino]propanoyl]amino]-N-(2-morpholin-4-ylethyl)-3-oxidanylidene-pentanamide

Systemtic Name: (4S)-5-cyclohexyl-2,2-bis(fluoranyl)-4-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenyl-propanoyl]amino]propanoyl]amino]-N-(2-morpholin-4-ylethyl)-3-oxidanylidene-pentanamide Openeye Name: (4S)-5-cyclohexyl-2,2-difluoro-4-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-(morpholinosulfonylamino)-3-phenyl-propanoyl]amino]propanoyl]amino]-N-(2-morpholinoethyl)-3-oxo-pentanamide CAS Name: (4S)-5-cyclohexyl-2,2-difluoro-4-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-(4-morpholinylsulfonylamino)-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-N-[2-(4-morpholinyl)ethyl]-3-oxopentanamide IUPAC Name: (4S)-5-cyclohexyl-2,2-difluoro-4-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]propanoyl]amino]-N-(2-morpholin-4-ylethyl)-3-oxopentanamide Traditional Name: (4S)-5-cyclohexyl-2,2-difluoro-4-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-(morpholinosulfonylamino)-3-phenyl-propanoyl]amino]propanoyl]amino]-3-keto-N-(2-morpholinoethyl)valeramide Formula: C36H52F2N8O8S MolecularWeight: 794.908686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)C(C(=O)NCCN2CCOCC2)(F)F)NC(=O)C(CC3=CN=CN3)NC(=O)C(CC4=CC=CC=C4)NS(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)C(C(=O)NCCN2CCOCC2)(F)F)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CC4=CC=CC=C4)NS(=O)(=O)N5CCOCC5

InChI

InChI=1S/C36H52F2N8O8S/c37-36(38,35(50)40-11-12-45-13-17-53-18-14-45)32(47)29(21-26-7-3-1-4-8-26)42-33(48)30(23-28-24-39-25-41-28)43-34(49)31(22-27-9-5-2-6-10-27)44-55(51,52)46-15-19-54-20-16-46/h2,5-6,9-10,24-26,29-31,44H,1,3-4,7-8,11-23H2,(H,39,41)(H,40,50)(H,42,48)(H,43,49)/t29-,30-,31-/m0/s1