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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H35F2N5O2S
Molecular Weight 543.672
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRN-694

SMILES

C[C@H](NCC1=CC2=C(C=C1)N(C[C@H]3CCCN3C(=O)C=C)C(NC(=O)C4=CC=C(S4)C(F)F)=N2)C(C)(C)C

InChI

InChIKey=NXTKFBGDLDPFLB-PKOBYXMFSA-N
InChI=1S/C28H35F2N5O2S/c1-6-24(36)34-13-7-8-19(34)16-35-21-10-9-18(15-31-17(2)28(3,4)5)14-20(21)32-27(35)33-26(37)23-12-11-22(38-23)25(29)30/h6,9-12,14,17,19,25,31H,1,7-8,13,15-16H2,2-5H3,(H,32,33,37)/t17-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H35F2N5O2S
Molecular Weight 543.672
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
K5IZ54DF9G
Record Status Validated (UNII)
Record Version