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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H26F2N4O2
Molecular Weight 392.4428
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5F-3,5-AB-PFUPPYCA

SMILES

CC(C)[C@H](NC(=O)C1=CC(=NN1CCCCCF)C2=CC=C(F)C=C2)C(N)=O

InChI

InChIKey=JPKXVUNTSWGYKJ-SFHVURJKSA-N
InChI=1S/C20H26F2N4O2/c1-13(2)18(19(23)27)24-20(28)17-12-16(14-6-8-15(22)9-7-14)25-26(17)11-5-3-4-10-21/h6-9,12-13,18H,3-5,10-11H2,1-2H3,(H2,23,27)(H,24,28)/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H26F2N4O2
Molecular Weight 392.4428
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
RS5M62YJ87
Record Status Validated (UNII)
Record Version