R68

N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE


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Chemical Component Summary

NameN-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE
IdentifiersN-[(3R,4R)-4-[[4-[3-[(2R)-3,3-dimethylpiperidin-2-yl]-2-fluoro-6-hydroxy-phenyl]carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide
FormulaC33 H38 F N5 O4
Molecular Weight587.684
TypeNON-POLYMER
Isomeric SMILESCC1(CCCN[C@H]1c2ccc(c(c2F)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C
InChIInChI=1S/C33H38FN5O4/c1-33(2)14-4-16-37-30(33)23-10-11-26(40)27(28(23)34)29(41)20-6-8-21(9-7-20)31(42)38-24-5-3-15-36-19-25(24)39-32(43)22-12-17-35-18-13-22/h6-13,17-18,24-25,30,36-37,40H,3-5,14-16,19H2,1-2H3,(H,38,42)(H,39,43)/t24-,25-,30+/m1/s1
InChIKeyLLDRWTNKJQFSDC-KQZWIPHESA-N

Chemical Details

Formal Charge0
Atom Count81
Chiral Atom Count3
Bond Count85
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 5289254