U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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=CC=C2C=CC=CC2=N1)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

Approval Year

Unknown
149124
Name Type Language
N-QUINALDOYL-L-ASPARAGINE
Preferred Name English
(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-(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 Mon Mar 31 23:43:46 GMT 2025 , Edited by admin on Mon Mar 31 23:43:46 GMT 2025
PRIMARY
FDA UNII
Q3CX4RC47K
Created by admin on Mon Mar 31 23:43:46 GMT 2025 , Edited by admin on Mon Mar 31 23:43:46 GMT 2025
PRIMARY
CAS
136465-98-0
Created by admin on Mon Mar 31 23:43:46 GMT 2025 , Edited by admin on Mon Mar 31 23:43:46 GMT 2025
PRIMARY
PUBCHEM
11044384
Created by admin on Mon Mar 31 23:43:46 GMT 2025 , Edited by admin on Mon Mar 31 23:43:46 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966