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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H18BrN3O4
Molecular Weight 420.257
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl (4S)-4-amino-5-[[4-bromo-2-(2-pyridinylcarbonyl)phenyl]amino]-5-oxopentanoate

SMILES

COC(=O)CC[C@H](N)C(=O)NC1=C(C=C(Br)C=C1)C(=O)C2=NC=CC=C2

InChI

InChIKey=OGGHIJLVRRWYEI-ZDUSSCGKSA-N
InChI=1S/C18H18BrN3O4/c1-26-16(23)8-6-13(20)18(25)22-14-7-5-11(19)10-12(14)17(24)15-4-2-3-9-21-15/h2-5,7,9-10,13H,6,8,20H2,1H3,(H,22,25)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H18BrN3O4
Molecular Weight 420.257
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 20:00:59 GMT 2025
Edited
by admin
on Wed Apr 02 20:00:59 GMT 2025
Record UNII
WL85PM6QUV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl (4S)-4-amino-5-[[4-bromo-2-(2-pyridinylcarbonyl)phenyl]amino]-5-oxopentanoate
Systematic Name English
Fmoc-Glu(OMe)-OH
Preferred Name English
Pentanoic acid, 4-amino-5-[[4-bromo-2-(2-pyridinylcarbonyl)phenyl]amino]-5-oxo-, methyl ester, (4S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
51340556
Created by admin on Wed Apr 02 20:00:59 GMT 2025 , Edited by admin on Wed Apr 02 20:00:59 GMT 2025
PRIMARY
FDA UNII
WL85PM6QUV
Created by admin on Wed Apr 02 20:00:59 GMT 2025 , Edited by admin on Wed Apr 02 20:00:59 GMT 2025
PRIMARY
CAS
1276185-51-3
Created by admin on Wed Apr 02 20:00:59 GMT 2025 , Edited by admin on Wed Apr 02 20:00:59 GMT 2025
PRIMARY