U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H32F3N5O4S
Molecular Weight 591.645
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAMOCAFTOR

SMILES

C[C@@H]1CN(C2=C(C=CC(=N2)N3C=CC(OCCC4(CC4)C(F)(F)F)=N3)C(=O)NS(=O)(=O)C5=CC=CC=C5)C(C)(C)C1

InChI

InChIKey=IGEOJNMYRZUKIK-IBGZPJMESA-N
InChI=1S/C28H32F3N5O4S/c1-19-17-26(2,3)35(18-19)24-21(25(37)34-41(38,39)20-7-5-4-6-8-20)9-10-22(32-24)36-15-11-23(33-36)40-16-14-27(12-13-27)28(29,30)31/h4-11,15,19H,12-14,16-18H2,1-3H3,(H,34,37)/t19-/m0/s1

HIDE SMILES / InChI

Approval Year