I04
N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOYLAMINO]-AZEPAN-3-YL}ISONICOTINAMIDE
Find entries where: I04
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOYLAMINO]-AZEPAN-3-YL}ISONICOTINAMIDE |
Identifiers | N-[(3R,4R)-4-[[4-(2-fluoro-6-hydroxy-3-methoxy-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide |
Formula | C27 H27 F N4 O5 |
Molecular Weight | 506.525 |
Type | NON-POLYMER |
Isomeric SMILES | COc1ccc(c(c1F)C(=O)c2ccc(cc2)C(=O)N[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O |
InChI | InChI=1S/C27H27FN4O5/c1-37-22-9-8-21(33)23(24(22)28)25(34)16-4-6-17(7-5-16)26(35)31-19-3-2-12-30-15-20(19)32-27(36)18-10-13-29-14-11-18/h4-11,13-14,19-20,30,33H,2-3,12,15H2,1H3,(H,31,35)(H,32,36)/t19-,20-/m1/s1 |
InChIKey | KGSQEYHTCBVKAX-WOJBJXKFSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 64 |
Chiral Atom Count | 2 |
Bond Count | 67 |
Aromatic Bond Count | 18 |
Related Resource References
Resource Name | Reference |
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PubChem | 657002 |