(2S)-N-[2-[[(2S,3R,4S)-1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]amino]-2-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethoxy]ethyl]-2-(morpholin-4-ylsulfonylamino)-3-phenyl-propanamide

Systemtic Name: (2S)-N-[2-[[(2S,3R,4S)-1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]amino]-2-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethoxy]ethyl]-2-(morpholin-4-ylsulfonylamino)-3-phenyl-propanamide Openeye Name: (2S)-N-[2-[[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]amino]-2-oxo-1-(2,2,2-trifluoroethoxy)ethyl]-2-(morpholinosulfonylamino)-3-phenyl-propanamide CAS Name: (2S)-N-[2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-oxo-1-(2,2,2-trifluoroethoxy)ethyl]-2-(4-morpholinylsulfonylamino)-3-phenylpropanamide IUPAC Name: (2S)-N-[2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-oxo-1-(2,2,2-trifluoroethoxy)ethyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide Traditional Name: (2S)-N-[2-[[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]amino]-2-keto-1-(2,2,2-trifluoroethoxy)ethyl]-2-(morpholinosulfonylamino)-3-phenyl-propionamide Formula: C31H49F3N4O8S MolecularWeight: 694.80297

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(CC1CCCCC1)NC(=O)C(NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)N3CCOCC3)OCC(F)(F)F)O)O

Isomeric SMILES

CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](CC2=CC=CC=C2)NS(=O)(=O)N3CCOCC3)OCC(F)(F)F)O)O

InChI

InChI=1S/C31H49F3N4O8S/c1-21(2)17-26(39)27(40)24(18-22-9-5-3-6-10-22)35-29(42)30(46-20-31(32,33)34)36-28(41)25(19-23-11-7-4-8-12-23)37-47(43,44)38-13-15-45-16-14-38/h4,7-8,11-12,21-22,24-27,30,37,39-40H,3,5-6,9-10,13-20H2,1-2H3,(H,35,42)(H,36,41)/t24-,25-,26-,27+,30?/m0/s1