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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H19F2NO4
Molecular Weight 315.3125
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Boc-3,4-difluoro-D-?-homophenylalanine

SMILES

CC(C)(C)OC(=O)N[C@@H](CC(O)=O)CC1=CC(F)=C(F)C=C1

InChI

InChIKey=XZGBRONJONQTTA-SNVBAGLBSA-N
InChI=1S/C15H19F2NO4/c1-15(2,3)22-14(21)18-10(8-13(19)20)6-9-4-5-11(16)12(17)7-9/h4-5,7,10H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H19F2NO4
Molecular Weight 315.3125
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 Wed Apr 02 17:30:53 GMT 2025
Edited
by admin
on Wed Apr 02 17:30:53 GMT 2025
Record UNII
3B48EWY6AE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Boc-3,4-difluoro-D-?-homophenylalanine
Common Name English
(3R)-3-[(tert-Butoxycarbonyl)amino]-4-(3,4-difluorophenyl)butanoic acid
Preferred Name English
Benzenebutanoic acid, ?-[[(1,1-dimethylethoxy)carbonyl]amino]-3,4-difluoro-, (?R)-
Systematic Name English
3-((tert-butoxycarbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid, (R)-
Systematic Name English
(R)-3-(tert-Butoxycarbonylamino)-4-(3,4-difluorophenyl)butanoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
3B48EWY6AE
Created by admin on Wed Apr 02 17:30:53 GMT 2025 , Edited by admin on Wed Apr 02 17:30:53 GMT 2025
PRIMARY
CAS
269396-59-0
Created by admin on Wed Apr 02 17:30:53 GMT 2025 , Edited by admin on Wed Apr 02 17:30:53 GMT 2025
PRIMARY
PUBCHEM
7009791
Created by admin on Wed Apr 02 17:30:53 GMT 2025 , Edited by admin on Wed Apr 02 17:30:53 GMT 2025
PRIMARY