JWG

4-(3-hydroxy-3-oxopropylamino)-4-oxidanylidene-butanoic acid

Created:	2022-05-13
Last modified:	2024-09-27

Find Related PDB Entry
1 entries where JWG is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	0

2D diagram of JWG

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-(3-hydroxy-3-oxopropylamino)-4-oxidanylidene-butanoic acid
Systematic Name (OpenEye OEToolkits)	4-(3-hydroxy-3-oxopropylamino)-4-oxidanylidene-butanoic acid
Formula	C₇ H₁₁ N O₅
Molecular Weight	189.166
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)CCNC(=O)CCC(O)=O
SMILES	OpenEye OEToolkits	2.0.7	C(CC(=O)O)C(=O)NCCC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)CCNC(=O)CCC(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C(CC(=O)O)C(=O)NCCC(=O)O
InChI	InChI	1.06	InChI=1S/C7H11NO5/c9-5(1-2-6(10)11)8-4-3-7(12)13/h1-4H2,(H,8,9)(H,10,11)(H,12,13)
InChIKey	InChI	1.06	NFQWOKKYYQQDCQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11194800

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.