8S2
(2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide
Find entries where: 8S2
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
---|---|
Name | (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide |
Identifiers | (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide |
Formula | C22 H21 F3 N6 O4 |
Molecular Weight | 490.435 |
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)N |
InChI | InChI=1S/C22H21F3N6O4/c23-22(24,25)35-14-5-3-4-13(9-14)28-19(32)18-8-12(26)10-31(18)21(34)29-16-11-30(20(27)33)17-7-2-1-6-15(16)17/h1-7,9,11-12,18H,8,10,26H2,(H2,27,33)(H,28,32)(H,29,34)/t12-,18-/m0/s1 |
InChIKey | BOUWILWEXWTKKH-SGTLLEGYSA-N |
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 56 |
Chiral Atom Count | 2 |
Bond Count | 59 |
Aromatic Bond Count | 16 |
Related Resource References
Resource Name | Reference |
---|---|
Pharos | CHEMBL3673825 |
PubChem | 68284716 |
ChEMBL | CHEMBL3673825 |