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Details

Stereochemistry ACHIRAL
Molecular Formula C12H13NO5
Molecular Weight 251.2353
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-CAFFEOYL-.BETA.-ALANINE

SMILES

OC(=O)CCNC(=O)\C=C\C1=CC(O)=C(O)C=C1

InChI

InChIKey=WPBOFJOMOJATDP-DUXPYHPUSA-N
InChI=1S/C12H13NO5/c14-9-3-1-8(7-10(9)15)2-4-11(16)13-6-5-12(17)18/h1-4,7,14-15H,5-6H2,(H,13,16)(H,17,18)/b4-2+

HIDE SMILES / InChI

Molecular Formula C12H13NO5
Molecular Weight 251.2353
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:20:48 GMT 2025
Edited
by admin
on Tue Apr 01 16:20:48 GMT 2025
Record UNII
8ZM79N446A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(E)-CAFFEOYL-.BETA.-ALANINE
Preferred Name English
N-CAFFEOYL-.BETA.-ALANINE
Common Name English
.BETA.-ALANINE, N-((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-
Systematic Name English
.BETA.-ALANINE, N-((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
73353492
Created by admin on Tue Apr 01 16:20:48 GMT 2025 , Edited by admin on Tue Apr 01 16:20:48 GMT 2025
PRIMARY
CAS
675833-41-7
Created by admin on Tue Apr 01 16:20:48 GMT 2025 , Edited by admin on Tue Apr 01 16:20:48 GMT 2025
PRIMARY
FDA UNII
8ZM79N446A
Created by admin on Tue Apr 01 16:20:48 GMT 2025 , Edited by admin on Tue Apr 01 16:20:48 GMT 2025
PRIMARY
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