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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H13N3O4
Molecular Weight 287.2707
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (S)-4-AMINO-4-OXO-2-(((QUINOLIN-2-YL)CARBONYL)AMINO)BUTANOIC ACID

SMILES

NC(=O)C[C@H](NC(=O)C1=NC2=CC=CC=C2C=C1)C(O)=O

InChI

InChIKey=VSHYTRKWRSIOEV-NSHDSACASA-N
InChI=1S/C14H13N3O4/c15-12(18)7-11(14(20)21)17-13(19)10-6-5-8-3-1-2-4-9(8)16-10/h1-6,11H,7H2,(H2,15,18)(H,17,19)(H,20,21)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H13N3O4
Molecular Weight 287.2707
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 Sat Dec 16 11:16:13 GMT 2023
Edited
by admin
on Sat Dec 16 11:16:13 GMT 2023
Record UNII
Q3CX4RC47K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-4-AMINO-4-OXO-2-(((QUINOLIN-2-YL)CARBONYL)AMINO)BUTANOIC ACID
Systematic Name English
N-(2-QUINOLINYLCARBONYL)-L-ASPARAGINE
Systematic Name English
N-QUINALDOYL-L-ASPARAGINE
Common Name English
N-(2-QUINOLYLCARBONYL)-L-ASPARAGINE
Systematic Name English
SAQUINAVIR MESILATE IMPURITY A [EP IMPURITY]
Common Name English
N2-(2-QUINOLINYLCARBONYL)-L-ASPARAGINE
Systematic Name English
N-(2-QUINOLINYLCARBONYL)ASPARAGINE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20929441
Created by admin on Sat Dec 16 11:16:14 GMT 2023 , Edited by admin on Sat Dec 16 11:16:14 GMT 2023
PRIMARY
FDA UNII
Q3CX4RC47K
Created by admin on Sat Dec 16 11:16:14 GMT 2023 , Edited by admin on Sat Dec 16 11:16:14 GMT 2023
PRIMARY
CAS
136465-98-0
Created by admin on Sat Dec 16 11:16:14 GMT 2023 , Edited by admin on Sat Dec 16 11:16:14 GMT 2023
PRIMARY
PUBCHEM
11044384
Created by admin on Sat Dec 16 11:16:14 GMT 2023 , Edited by admin on Sat Dec 16 11:16:14 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
correction factors: for the calculation of content, multiply the peak areas of the following impurity by the corresponding correction factor: impurity A = 0.5
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP