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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H17NO7
Molecular Weight 323.298
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1,4-DIMETHYL N-((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-L-ASPARTATE

SMILES

COC(=O)C[C@H](NC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(=O)OC

InChI

InChIKey=BCZOZPJEPHTSJK-RWCYGVJQSA-N
InChI=1S/C15H17NO7/c1-22-14(20)8-10(15(21)23-2)16-13(19)6-4-9-3-5-11(17)12(18)7-9/h3-7,10,17-18H,8H2,1-2H3,(H,16,19)/b6-4+/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H17NO7
Molecular Weight 323.298
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 Dec 16 10:56:37 UTC 2023
Edited
by admin
on Sat Dec 16 10:56:37 UTC 2023
Record UNII
9454JC8WJ4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,4-DIMETHYL N-((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-L-ASPARTATE
Systematic Name English
N-(E)-CAFFEOYL-L-ASPARTIC ACID-DIMETHYLESTER
Common Name English
L-ASPARTIC ACID, N-((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-, 1,4-DIMETHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
9454JC8WJ4
Created by admin on Sat Dec 16 10:56:37 UTC 2023 , Edited by admin on Sat Dec 16 10:56:37 UTC 2023
PRIMARY
PUBCHEM
163203561
Created by admin on Sat Dec 16 10:56:37 UTC 2023 , Edited by admin on Sat Dec 16 10:56:37 UTC 2023
PRIMARY
CAS
1357599-84-8
Created by admin on Sat Dec 16 10:56:37 UTC 2023 , Edited by admin on Sat Dec 16 10:56:37 UTC 2023
PRIMARY
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