D3C

N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide

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Chemical Component Summary
Name	N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
Identifiers	N-[(3R)-3-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]butyl]-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
Formula	C₁₉ H₂₀ F₆ N₄ O
Molecular Weight	434.379
Type	NON-POLYMER
Isomeric SMILES	c1cc(n2c1CN(CC2)C(=O)NCC[C@@H](Cc3cc(c(cc3F)F)F)N)C(F)(F)F
InChI	InChI=1S/C19H20F6N4O/c20-14-9-16(22)15(21)8-11(14)7-12(26)3-4-27-18(30)28-5-6-29-13(10-28)1-2-17(29)19(23,24)25/h1-2,8-9,12H,3-7,10,26H2,(H,27,30)/t12-/m0/s1
InChIKey	LULDEXNDCODGTE-LBPRGKRZSA-N

Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	1
Bond Count	52
Aromatic Bond Count	11

Related Resource References

Resource Name	Reference
PubChem	72715987

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.