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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H23FN2O3
Molecular Weight 382.428
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MMB-FUBICA

SMILES

COC(=O)[C@@H](NC(=O)C1=CN(CC2=CC=C(F)C=C2)C3=C1C=CC=C3)C(C)C

InChI

InChIKey=NYQOGZPXNJSYDW-FQEVSTJZSA-N
InChI=1S/C22H23FN2O3/c1-14(2)20(22(27)28-3)24-21(26)18-13-25(19-7-5-4-6-17(18)19)12-15-8-10-16(23)11-9-15/h4-11,13-14,20H,12H2,1-3H3,(H,24,26)/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H23FN2O3
Molecular Weight 382.428
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:46:26 GMT 2025
Edited
by admin
on Wed Apr 02 19:46:26 GMT 2025
Record UNII
ESG6Y9TL2F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MMB-FUBICA
Common Name English
DEA NO. 7095
Preferred Name English
Methyl 2-(1-(4-fluorobenzyl)-1H-indole-3-carboxamido)-3-methyl butanoate
Systematic Name English
N-[[1-[(4-Fluorophenyl)methyl]-1H-indol-3-yl]carbonyl]-L-valine methyl ester
Systematic Name English
L-Valine, N-[[1-[(4-fluorophenyl)methyl]-1H-indol-3-yl]carbonyl]-, methyl ester
Systematic Name English
Classification Tree Code System Code
DEA NO. 7095
Created by admin on Wed Apr 02 19:46:26 GMT 2025 , Edited by admin on Wed Apr 02 19:46:26 GMT 2025
Code System Code Type Description
CAS
1971007-90-5
Created by admin on Wed Apr 02 19:46:26 GMT 2025 , Edited by admin on Wed Apr 02 19:46:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID301341886
Created by admin on Wed Apr 02 19:46:26 GMT 2025 , Edited by admin on Wed Apr 02 19:46:26 GMT 2025
PRIMARY
CAYMAN
20182
Created by admin on Wed Apr 02 19:46:26 GMT 2025 , Edited by admin on Wed Apr 02 19:46:26 GMT 2025
PRIMARY
PUBCHEM
129522103
Created by admin on Wed Apr 02 19:46:26 GMT 2025 , Edited by admin on Wed Apr 02 19:46:26 GMT 2025
PRIMARY
FDA UNII
ESG6Y9TL2F
Created by admin on Wed Apr 02 19:46:26 GMT 2025 , Edited by admin on Wed Apr 02 19:46:26 GMT 2025
PRIMARY
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