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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22N2O8
Molecular Weight 394.3766
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-(E)-FERULOYL-L-GLUTAMIC ACID-L-ALANINE

SMILES

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

InChI

InChIKey=UONGUFZHSWFFFW-FBSILNAGSA-N
InChI=1S/C18H22N2O8/c1-10(17(24)25)19-15(22)8-5-12(18(26)27)20-16(23)7-4-11-3-6-13(21)14(9-11)28-2/h3-4,6-7,9-10,12,21H,5,8H2,1-2H3,(H,19,22)(H,20,23)(H,24,25)(H,26,27)/b7-4+/t10-,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H22N2O8
Molecular Weight 394.3766
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 02:17:51 UTC 2021
Edited
by admin
on Sat Jun 26 02:17:51 UTC 2021
Record UNII
7116226ZQE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(E)-FERULOYL-L-GLUTAMIC ACID-L-ALANINE
Common Name English
L-ALANINE, N-((2E)-3-(4-HYDROXY-3-METHOXYPHENYL)-1-OXO-2-PROPEN-1-YL)-L-.GAMMA.-GLUTAMYL-
Systematic Name English
Code System Code Type Description
CAS
1357599-87-1
Created by admin on Sat Jun 26 02:17:51 UTC 2021 , Edited by admin on Sat Jun 26 02:17:51 UTC 2021
PRIMARY
PUBCHEM
91617883
Created by admin on Sat Jun 26 02:17:51 UTC 2021 , Edited by admin on Sat Jun 26 02:17:51 UTC 2021
PRIMARY
FDA UNII
7116226ZQE
Created by admin on Sat Jun 26 02:17:51 UTC 2021 , Edited by admin on Sat Jun 26 02:17:51 UTC 2021
PRIMARY
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