DJV
N-[(1R,2S)-1-[(2R,4R)-4-(cyclohexylmethoxy)pyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide
Find entries where: DJV
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | N-[(1R,2S)-1-[(2R,4R)-4-(cyclohexylmethoxy)pyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide |
Identifiers | ~{N}-[(1~{R},2~{S})-3-[3,5-bis(fluoranyl)phenyl]-1-[(2~{R},4~{R})-4-(cyclohexylmethoxy)pyrrolidin-2-yl]-1-oxidanyl-propan-2-yl]ethanamide |
Formula | C22 H32 F2 N2 O3 |
Molecular Weight | 410.498 |
Type | NON-POLYMER |
Isomeric SMILES | CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H]([C@H]2C[C@H](CN2)OCC3CCCCC3)O |
InChI | InChI=1S/C22H32F2N2O3/c1-14(27)26-21(9-16-7-17(23)10-18(24)8-16)22(28)20-11-19(12-25-20)29-13-15-5-3-2-4-6-15/h7-8,10,15,19-22,25,28H,2-6,9,11-13H2,1H3,(H,26,27)/t19-,20-,21+,22-/m1/s1 |
InChIKey | MSAOCNJMXAZEEN-YUMYIRISSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 61 |
Chiral Atom Count | 4 |
Bond Count | 63 |
Aromatic Bond Count | 6 |
Related Resource References
Resource Name | Reference |
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PubChem | 131800992 |
ChEMBL | CHEMBL4116622 |