8S5
(2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide
Find entries where: 8S5
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | (2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide |
Identifiers | (2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide |
Formula | C22 H19 F4 N5 O4 |
Molecular Weight | 493.411 |
Type | NON-POLYMER |
Isomeric SMILES | c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3C[C@@H](C[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F)F |
InChI | InChI=1S/C22H19F4N5O4/c23-12-8-18(19(32)28-13-4-3-5-14(9-13)35-22(24,25)26)31(10-12)21(34)29-16-11-30(20(27)33)17-7-2-1-6-15(16)17/h1-7,9,11-12,18H,8,10H2,(H2,27,33)(H,28,32)(H,29,34)/t12-,18+/m1/s1 |
InChIKey | PFNAXJGGZUYQGP-XIKOKIGWSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 54 |
Chiral Atom Count | 2 |
Bond Count | 57 |
Aromatic Bond Count | 16 |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL3668698 |
PubChem | 68284602 |
ChEMBL | CHEMBL3668698 |