VBQ

2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid

Created:	2021-05-05
Last modified:	2022-11-02

Find Related PDB Entry
1 entries where VBQ is found as a standalone ligand

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	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	12

2D diagram of VBQ

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid
Systematic Name (OpenEye OEToolkits)	2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid
Formula	C₁₆ H₁₁ N O₄
Molecular Weight	281.263
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)CNC(=O)c1cccc2C(=O)c3ccccc3c12
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)-c3c(cccc3C(=O)NCC(=O)O)C2=O
Canonical SMILES	CACTVS	3.385	OC(=O)CNC(=O)c1cccc2C(=O)c3ccccc3c12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)-c3c(cccc3C(=O)NCC(=O)O)C2=O
InChI	InChI	1.03	InChI=1S/C16H11NO4/c18-13(19)8-17-16(21)12-7-3-6-11-14(12)9-4-1-2-5-10(9)15(11)20/h1-7H,8H2,(H,17,21)(H,18,19)
InChIKey	InChI	1.03	XIDITRUNIYHCDR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	165416264

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.