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

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H19N3O7
Molecular Weight 329.3059
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MOLNUPIRAVIR

SMILES

CC(C)C(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C\C(NC2=O)=N\O

InChI

InChIKey=HTNPEHXGEKVIHG-QCNRFFRDSA-N
InChI=1S/C13H19N3O7/c1-6(2)12(19)22-5-7-9(17)10(18)11(23-7)16-4-3-8(15-21)14-13(16)20/h3-4,6-7,9-11,17-18,21H,5H2,1-2H3,(H,14,15,20)/t7-,9-,10-,11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H19N3O7
Molecular Weight 329.3059
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
YA84KI1VEW
Record Status Validated (UNII)
Record Version