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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H18F3NO4
Molecular Weight 333.3029
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Boc-amino)-4-(2,4,5-trifluorophenyl)butyric acid, (R)-

SMILES

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

InChI

InChIKey=TUAXCHGULMWHIO-SECBINFHSA-N
InChI=1S/C15H18F3NO4/c1-15(2,3)23-14(22)19-9(6-13(20)21)4-8-5-11(17)12(18)7-10(8)16/h5,7,9H,4,6H2,1-3H3,(H,19,22)(H,20,21)/t9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H18F3NO4
Molecular Weight 333.3029
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 17:26:48 GMT 2023
Edited
by admin
on Sat Dec 16 17:26:48 GMT 2023
Record UNII
2S9NWB23QS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Boc-amino)-4-(2,4,5-trifluorophenyl)butyric acid, (R)-
Systematic Name English
Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-2,4,5-trifluoro-, (βR)-
Systematic Name English
N-Boc-(R)-3-amino-4-(2,4,5-trifluorophenyl)butanoic acid
Systematic Name English
(R)-3-(tert-Butoxycarbonylamino)-4-(2,4,5-trifluorophenyl)butanoic acid
Systematic Name English
3-(tert-Butoxycarbonylamino)-4-(2,4,5-trifluorophenyl)butanoic acid, (R)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70428050
Created by admin on Sat Dec 16 17:26:48 GMT 2023 , Edited by admin on Sat Dec 16 17:26:48 GMT 2023
PRIMARY
FDA UNII
2S9NWB23QS
Created by admin on Sat Dec 16 17:26:48 GMT 2023 , Edited by admin on Sat Dec 16 17:26:48 GMT 2023
PRIMARY
PUBCHEM
7146288
Created by admin on Sat Dec 16 17:26:48 GMT 2023 , Edited by admin on Sat Dec 16 17:26:48 GMT 2023
PRIMARY
CAS
486460-00-8
Created by admin on Sat Dec 16 17:26:48 GMT 2023 , Edited by admin on Sat Dec 16 17:26:48 GMT 2023
PRIMARY