Product Information
Chemical Formula: | C43H46F3N7O7S |
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Molecular Weight: | 861.93 |
Synonyms: | (2S,4R)-1-((S)-3,3-Dimethyl-2-(2-(2-(4-(6-((4-(trifluoromethoxy)phenyl)amino)pyrimidin-4-yl)phenoxy)ethoxy)acetamido)butanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide |
MDL No.: | MFCD32220458 |
EINECS / EC No.: | N/A |
Pubchem CID: | 139600282 |
IUPAC Name: | (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenoxy]ethoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide |
Standard InchI: | InChI=1S/C43H46F3N7O7S/c1-26-38(61-25-50-26)29-7-5-27(6-8-29)21-47-40(56)35-19-31(54)22-53(35)41(57)39(42(2,3)4)52-37(55)23-58-17-18-59-32-13-9-28(10-14-32)34-20-36(49-24-48-34)51-30-11-15-33(16-12-30)60-43(44,45)46/h5-16,20,24-25,31,35,39,54H,17-19,21-23H2,1-4H3,(H,47,56)(H,52,55)(H,48,49,51)/t31-,35+,39-/m1/s1 |
InchI Key: | ONDVWISBMHHLGZ-SBJIGXGQSA-N |
SMILES: | CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)COCCOC4=CC=C(C=C4)C5=CC(=NC=N5)NC6=CC=C(C=C6)OC(F)(F)F)O |
Appearance: | Solid |
Melting Point: | N/A |
Boiling Point: | N/A |
Density (Theoretical): | N/A |
Solubility: | DMSO, Ethanol; Insoluble in H2O |
Safety Information
Signal Word: | Warning |
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Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-P280-P301 P312-P302 P352-P305 P351 P338 |
Transportation Information: | UN 3077 9/ PG III |
GHS Pictograms: |