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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H19NO5
Molecular Weight 293.3151
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

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

SMILES

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

InChI

InChIKey=OLBHHFOSTWXOHD-MALLOTDXSA-N
InChI=1S/C15H19NO5/c1-9(2)7-11(15(20)21)16-14(19)6-4-10-3-5-12(17)13(18)8-10/h3-6,8-9,11,17-18H,7H2,1-2H3,(H,16,19)(H,20,21)/b6-4+/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H19NO5
Molecular Weight 293.3151
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 10:56:38 UTC 2023
Edited
by admin
on Sat Dec 16 10:56:38 UTC 2023
Record UNII
2YG7RQN999
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-L-LEUCINE
Systematic Name English
N-(E)-CAFFEOYL-L-LEUCINE
Common Name English
(2S)-2-(((E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOYL)AMINO)-4-METHYLPENTANOIC ACID
Systematic Name English
L-LEUCINE, N-((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
23659794
Created by admin on Sat Dec 16 10:56:38 UTC 2023 , Edited by admin on Sat Dec 16 10:56:38 UTC 2023
PRIMARY
CAS
959927-47-0
Created by admin on Sat Dec 16 10:56:38 UTC 2023 , Edited by admin on Sat Dec 16 10:56:38 UTC 2023
PRIMARY
FDA UNII
2YG7RQN999
Created by admin on Sat Dec 16 10:56:38 UTC 2023 , Edited by admin on Sat Dec 16 10:56:38 UTC 2023
PRIMARY
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