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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H13NO7
Molecular Weight 295.2453
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-CAFFEOYL-L-ASPARTIC ACID

SMILES

c1cc(c(cc1/C(/[H])=C(\[H])/C(=N[C@@]([H])(CC(=O)O)C(=O)O)O)O)O

InChI

InChIKey=YNHFZQQNJPOYRC-KHVHVRLGSA-N
InChI=1S/C13H13NO7/c15-9-3-1-7(5-10(9)16)2-4-11(17)14-8(13(20)21)6-12(18)19/h1-5,8,15-16H,6H2,(H,14,17)(H,18,19)(H,20,21)/b4-2+/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H13NO7
Molecular Weight 295.2453
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 Fri Jun 25 23:22:49 UTC 2021
Edited
by admin
on Fri Jun 25 23:22:49 UTC 2021
Record UNII
9629A6NZ0S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-CAFFEOYL-L-ASPARTIC ACID
Common Name English
N-(E)-CAFFEOYL-L-ASPARTIC ACID
Common Name English
L-ASPARTIC ACID, N-((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)-
Common Name English
L-ASPARTIC ACID, N-((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-
Systematic Name English
Code System Code Type Description
CAS
860295-20-1
Created by admin on Fri Jun 25 23:22:49 UTC 2021 , Edited by admin on Fri Jun 25 23:22:49 UTC 2021
PRIMARY
PUBCHEM
23658567
Created by admin on Fri Jun 25 23:22:49 UTC 2021 , Edited by admin on Fri Jun 25 23:22:49 UTC 2021
PRIMARY
FDA UNII
9629A6NZ0S
Created by admin on Fri Jun 25 23:22:49 UTC 2021 , Edited by admin on Fri Jun 25 23:22:49 UTC 2021
PRIMARY
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