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Details

Stereochemistry RACEMIC
Molecular Formula C20H22N6O4
Molecular Weight 410.4265
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(3-(6-GUANIDINO-1-OXOISOINDOLIN-2YL)PROPANAMIDO)-3-(PYRIDINE-3YL)PROPANOIC ACID

SMILES

NC(=N)NC1=CC2=C(CN(CCC(=O)NC(CC(O)=O)C3=CC=CN=C3)C2=O)C=C1

InChI

InChIKey=QYJPVUKVHBUFLH-UHFFFAOYSA-N
InChI=1S/C20H22N6O4/c21-20(22)24-14-4-3-13-11-26(19(30)15(13)8-14)7-5-17(27)25-16(9-18(28)29)12-2-1-6-23-10-12/h1-4,6,8,10,16H,5,7,9,11H2,(H,25,27)(H,28,29)(H4,21,22,24)

HIDE SMILES / InChI

Molecular Formula C20H22N6O4
Molecular Weight 410.4265
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:27:25 GMT 2023
Edited
by admin
on Sat Dec 16 13:27:25 GMT 2023
Record UNII
HP3E8MOW01
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(3-(6-GUANIDINO-1-OXOISOINDOLIN-2YL)PROPANAMIDO)-3-(PYRIDINE-3YL)PROPANOIC ACID
Systematic Name English
GOPPP
Common Name English
Code System Code Type Description
FDA UNII
HP3E8MOW01
Created by admin on Sat Dec 16 13:27:26 GMT 2023 , Edited by admin on Sat Dec 16 13:27:26 GMT 2023
PRIMARY
CAS
1445836-51-0
Created by admin on Sat Dec 16 13:27:26 GMT 2023 , Edited by admin on Sat Dec 16 13:27:26 GMT 2023
PRIMARY
PUBCHEM
137321955
Created by admin on Sat Dec 16 13:27:26 GMT 2023 , Edited by admin on Sat Dec 16 13:27:26 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
BINDING
IC50
SALT/SOLVATE -> PARENT