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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H18F3NO4
Molecular Weight 333.3029
Optical Activity UNSPECIFIED
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, (S)-

SMILES

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

InChI

InChIKey=TUAXCHGULMWHIO-VIFPVBQESA-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-/m0/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 19:50:06 GMT 2023
Edited
by admin
on Sat Dec 16 19:50:06 GMT 2023
Record UNII
RS8PFB2P52
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Boc-amino)-4-(2,4,5-trifluorophenyl)butyric acid, (S)-
Systematic Name English
β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2,4,5-trifluorobenzenebutanoic acid, (βS)-
Systematic Name English
(βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2,4,5-trifluorobenzenebutanoic acid
Common Name English
(S)-3-((tert-Butoxycarbonyl)amino)-4-(2,4,5-trifluorophenyl)butanoicacid
Systematic Name English
Code System Code Type Description
FDA UNII
RS8PFB2P52
Created by admin on Sat Dec 16 19:50:06 GMT 2023 , Edited by admin on Sat Dec 16 19:50:06 GMT 2023
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CAS
922178-94-7
Created by admin on Sat Dec 16 19:50:06 GMT 2023 , Edited by admin on Sat Dec 16 19:50:06 GMT 2023
PRIMARY
PUBCHEM
2762285
Created by admin on Sat Dec 16 19:50:06 GMT 2023 , Edited by admin on Sat Dec 16 19:50:06 GMT 2023
PRIMARY