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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29FN3O9P
Molecular Weight 529.4534
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AT-2173

SMILES

CC(C)OC(=O)[C@]([H])(C)N[P@](=O)(OC[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])(n2cc(C)c(nc2=O)O)O1)F)O)Oc3ccccc3

InChI

InChIKey=FTMNZJASLMPPNW-MHFVGYLCSA-N
InChI=1S/C22H29FN3O9P/c1-12(2)33-21(29)14(4)25-36(31,35-15-8-6-5-7-9-15)32-11-16-18(27)17(23)20(34-16)26-10-13(3)19(28)24-22(26)30/h5-10,12,14,16-18,20,27H,11H2,1-4H3,(H,25,31)(H,24,28,30)/t14-,16-,17+,18-,20-,36-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H29FN3O9P
Molecular Weight 529.4534
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 13:13:33 UTC 2021
Edited
by admin
on Sat Jun 26 13:13:33 UTC 2021
Record UNII
77AP23J0GH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AT-2173
Code English
L-ALANINE, N-((S)-HYDROXYPHENOXYPHOSPHINYL)-, 1-METHYLETHYL ESTER, 5'-ESTER WITH 1-(2-DEOXY-2-FLUORO-.BETA.-L-ARABINOFURANOSYL)-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE
Systematic Name English
Code System Code Type Description
FDA UNII
77AP23J0GH
Created by admin on Sat Jun 26 13:13:34 UTC 2021 , Edited by admin on Sat Jun 26 13:13:34 UTC 2021
PRIMARY
CAS
1951476-79-1
Created by admin on Sat Jun 26 13:13:34 UTC 2021 , Edited by admin on Sat Jun 26 13:13:34 UTC 2021
PRIMARY
PUBCHEM
147565559
Created by admin on Sat Jun 26 13:13:34 UTC 2021 , Edited by admin on Sat Jun 26 13:13:34 UTC 2021
PRIMARY
Related Record Type Details
TARGET ORGANISM->INHIBITOR
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG