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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H16BrN3O4
Molecular Weight 406.231
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Amino-5-[4-bromo-2-(pyridine-2-carbonyl)anilino]-5-oxopentanoic acid, (4S)-

SMILES

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

InChI

InChIKey=LFDIDRQZSXQHTB-LBPRGKRZSA-N
InChI=1S/C17H16BrN3O4/c18-10-4-6-13(21-17(25)12(19)5-7-15(22)23)11(9-10)16(24)14-3-1-2-8-20-14/h1-4,6,8-9,12H,5,7,19H2,(H,21,25)(H,22,23)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H16BrN3O4
Molecular Weight 406.231
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 19:53:08 GMT 2025
Edited
by admin
on Wed Apr 02 19:53:08 GMT 2025
Record UNII
BS6WRG2DNE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Amino-5-[4-bromo-2-(pyridine-2-carbonyl)anilino]-5-oxopentanoic acid, (4S)-
Systematic Name English
(4S)-4-Amino-5-[4-bromo-2-(pyridine-2-carbonyl)anilino]-5-oxopentanoic acid
Preferred Name English
Code System Code Type Description
FDA UNII
BS6WRG2DNE
Created by admin on Wed Apr 02 19:53:08 GMT 2025 , Edited by admin on Wed Apr 02 19:53:08 GMT 2025
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PUBCHEM
137442568
Created by admin on Wed Apr 02 19:53:08 GMT 2025 , Edited by admin on Wed Apr 02 19:53:08 GMT 2025
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