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Details

Stereochemistry RACEMIC
Molecular Formula C15H19F2NO4
Molecular Weight 315.3125
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-{[(tert-butoxy)carbonyl]amino}-4-(2,5-difluorophenyl)butanoic acid

SMILES

CC(C)(C)OC(=O)NC(CC(O)=O)CC1=C(F)C=CC(F)=C1

InChI

InChIKey=DYAISPAQPPRCQC-UHFFFAOYSA-N
InChI=1S/C15H19F2NO4/c1-15(2,3)22-14(21)18-11(8-13(19)20)7-9-6-10(16)4-5-12(9)17/h4-6,11H,7-8H2,1-3H3,(H,18,21)(H,19,20)

HIDE SMILES / InChI

Molecular Formula C15H19F2NO4
Molecular Weight 315.3125
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:52:16 GMT 2023
Edited
by admin
on Sat Dec 16 19:52:16 GMT 2023
Record UNII
EBW8MC9G9P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-{[(tert-butoxy)carbonyl]amino}-4-(2,5-difluorophenyl)butanoic acid
Systematic Name English
β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2,5-difluorobenzenebutanoic acid
Systematic Name English
Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-2,5-difluoro-
Systematic Name English
Code System Code Type Description
CAS
1271773-97-7
Created by admin on Sat Dec 16 19:52:16 GMT 2023 , Edited by admin on Sat Dec 16 19:52:16 GMT 2023
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FDA UNII
EBW8MC9G9P
Created by admin on Sat Dec 16 19:52:16 GMT 2023 , Edited by admin on Sat Dec 16 19:52:16 GMT 2023
PRIMARY
PUBCHEM
21911201
Created by admin on Sat Dec 16 19:52:16 GMT 2023 , Edited by admin on Sat Dec 16 19:52:16 GMT 2023
PRIMARY