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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H13NO5
Molecular Weight 251.2358
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-(E)-CAFFEOYL-L-ALANINE

SMILES

C[C@@]([H])(C(=O)O)N=C(/C(/[H])=C(\[H])/c1ccc(c(c1)O)O)O

InChI

InChIKey=HTRLGQVZCDCTDC-MZTFZBDOSA-N
InChI=1S/C12H13NO5/c1-7(12(17)18)13-11(16)5-3-8-2-4-9(14)10(15)6-8/h2-7,14-15H,1H3,(H,13,16)(H,17,18)/b5-3+/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H13NO5
Molecular Weight 251.2358
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 11:36:26 UTC 2021
Edited
by admin
on Sat Jun 26 11:36:26 UTC 2021
Record UNII
1DRC6F41AH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(E)-CAFFEOYL-L-ALANINE
Common Name English
L-ALANINE, N-((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
23659398
Created by admin on Sat Jun 26 11:36:26 UTC 2021 , Edited by admin on Sat Jun 26 11:36:26 UTC 2021
PRIMARY
CAS
959927-45-8
Created by admin on Sat Jun 26 11:36:26 UTC 2021 , Edited by admin on Sat Jun 26 11:36:26 UTC 2021
PRIMARY
FDA UNII
1DRC6F41AH
Created by admin on Sat Jun 26 11:36:26 UTC 2021 , Edited by admin on Sat Jun 26 11:36:26 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
85+-7 % Mean adhesion, related to the untreated control) of FITC-labeled H. pylori to AGS cells after 2 h pretreatment with different NPAs (2mM)