A1L0V

2-[[6-[(4-fluorophenyl)methyl]-2-methyl-5-oxidanyl-pyrimidin-4-yl]carbonylamino]ethanoic acid

Created:	2024-04-19
Last modified:	2025-02-26

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1 entries where A1L0V is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	12

2D diagram of A1L0V

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Chemical Component Summary
Name	2-[[6-[(4-fluorophenyl)methyl]-2-methyl-5-oxidanyl-pyrimidin-4-yl]carbonylamino]ethanoic acid
Systematic Name (OpenEye OEToolkits)	2-[[6-[(4-fluorophenyl)methyl]-2-methyl-5-oxidanyl-pyrimidin-4-yl]carbonylamino]ethanoic acid
Formula	C₁₅ H₁₄ F N₃ O₄
Molecular Weight	319.288
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1nc(Cc2ccc(F)cc2)c(O)c(n1)C(=O)NCC(O)=O
SMILES	OpenEye OEToolkits	2.0.7	Cc1nc(c(c(n1)C(=O)NCC(=O)O)O)Cc2ccc(cc2)F
Canonical SMILES	CACTVS	3.385	Cc1nc(Cc2ccc(F)cc2)c(O)c(n1)C(=O)NCC(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1nc(c(c(n1)C(=O)NCC(=O)O)O)Cc2ccc(cc2)F
InChI	InChI	1.06	InChI=1S/C15H14FN3O4/c1-8-18-11(6-9-2-4-10(16)5-3-9)14(22)13(19-8)15(23)17-7-12(20)21/h2-5,22H,6-7H2,1H3,(H,17,23)(H,20,21)
InChIKey	InChI	1.06	MNJZVYOQKXSJCJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	172675262

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.