R2Y

N-cyclohexyl-D-leucyl-N-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-L-prolinamide


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Chemical Component Summary

NameN-cyclohexyl-D-leucyl-N-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-L-prolinamide
Identifiers(2~{S})-~{N}-[(1-azanylisoquinolin-6-yl)methyl]-1-[(2~{R})-2-(cyclohexylamino)-4-methyl-pentanoyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxamide
FormulaC27 H37 F2 N5 O2
Molecular Weight501.612
TypeNON-POLYMER
Isomeric SMILESCC(C)C[C@H](C(=O)N1CC(C[C@H]1C(=O)NCc2ccc3c(c2)ccnc3N)(F)F)NC4CCCCC4
InChIInChI=1S/C27H37F2N5O2/c1-17(2)12-22(33-20-6-4-3-5-7-20)26(36)34-16-27(28,29)14-23(34)25(35)32-15-18-8-9-21-19(13-18)10-11-31-24(21)30/h8-11,13,17,20,22-23,33H,3-7,12,14-16H2,1-2H3,(H2,30,31)(H,32,35)/t22-,23+/m1/s1
InChIKeyCOYOMWYNPNKVLE-PKTZIBPZSA-N

Chemical Details

Formal Charge0
Atom Count73
Chiral Atom Count2
Bond Count76
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 146027047