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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29FN3O9P
Molecular Weight 529.4525
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PSI-7976

SMILES

CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@](C)(F)[C@@H]1O)OC3=CC=CC=C3

InChI

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

HIDE SMILES / InChI

Molecular Formula C22H29FN3O9P
Molecular Weight 529.4525
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 Dec 16 11:30:31 GMT 2023
Edited
by admin
on Sat Dec 16 11:30:31 GMT 2023
Record UNII
V14CN8M621
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PSI-7976
Common Name English
L-ALANINE, N-((P(R),2'R)-2'-DEOXY-2'-FLUORO-2'-METHYL-P-PHENYL-5'-URIDYLYL)-, 1-METHYLETHYL ESTER
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID301025684
Created by admin on Sat Dec 16 11:30:31 GMT 2023 , Edited by admin on Sat Dec 16 11:30:31 GMT 2023
PRIMARY
CAS
1190308-01-0
Created by admin on Sat Dec 16 11:30:31 GMT 2023 , Edited by admin on Sat Dec 16 11:30:31 GMT 2023
PRIMARY
PUBCHEM
45375809
Created by admin on Sat Dec 16 11:30:31 GMT 2023 , Edited by admin on Sat Dec 16 11:30:31 GMT 2023
PRIMARY
FDA UNII
V14CN8M621
Created by admin on Sat Dec 16 11:30:31 GMT 2023 , Edited by admin on Sat Dec 16 11:30:31 GMT 2023
PRIMARY
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