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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H13FN4O3S
Molecular Weight 360.363
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PNU-176798

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC=C(C3=NC=C(S3)C#N)C(F)=C2

InChI

InChIKey=FGUCVLMMGZZQBB-NSHDSACASA-N
InChI=1S/C16H13FN4O3S/c1-9(22)19-6-11-8-21(16(23)24-11)10-2-3-13(14(17)4-10)15-20-7-12(5-18)25-15/h2-4,7,11H,6,8H2,1H3,(H,19,22)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H13FN4O3S
Molecular Weight 360.363
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:33:08 GMT 2023
Edited
by admin
on Sat Dec 16 07:33:08 GMT 2023
Record UNII
MU62LS2KJ6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PNU-176798
Code English
N-(((5S)-3-(4-(5-CYANO-1,3-THIAZOL-2-YL)-3-FLUOROPHENYL)-2-OXO-1,3-OXAZOLIDIN-5-YL)METHYL)ACETAMIDE
Systematic Name English
PNU176798
Code English
ACETAMIDE, N-(((5S)-3-(4-(5-CYANO-2-THIAZOLYL)-3-FLUOROPHENYL)-2-OXO-5-OXAZOLIDINYL)METHYL)-
Systematic Name English
Code System Code Type Description
CAS
428861-91-0
Created by admin on Sat Dec 16 07:33:08 GMT 2023 , Edited by admin on Sat Dec 16 07:33:08 GMT 2023
PRIMARY
PUBCHEM
10338562
Created by admin on Sat Dec 16 07:33:08 GMT 2023 , Edited by admin on Sat Dec 16 07:33:08 GMT 2023
PRIMARY
FDA UNII
MU62LS2KJ6
Created by admin on Sat Dec 16 07:33:08 GMT 2023 , Edited by admin on Sat Dec 16 07:33:08 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY