A1ILP

(2~{R})-2-azanyl-3-[[3-(5-ethyl-1,2-oxazol-4-yl)-5-fluoranyl-phenyl]carbonylamino]propanoic acid

Created:	2024-08-19
Last modified:	2024-11-27

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1 entries where A1ILP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	11

2D diagram of A1ILP

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Chemical Component Summary
Name	(2~{R})-2-azanyl-3-[[3-(5-ethyl-1,2-oxazol-4-yl)-5-fluoranyl-phenyl]carbonylamino]propanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-azanyl-3-[[3-(5-ethyl-1,2-oxazol-4-yl)-5-fluoranyl-phenyl]carbonylamino]propanoic acid
Formula	C₁₅ H₁₆ F N₃ O₄
Molecular Weight	321.304
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCc1oncc1c2cc(F)cc(c2)C(=O)NC[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCc1c(cno1)c2cc(cc(c2)F)C(=O)NCC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	CCc1oncc1c2cc(F)cc(c2)C(=O)NC[C@@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCc1c(cno1)c2cc(cc(c2)F)C(=O)NC[C@H](C(=O)O)N
InChI	InChI	1.06	InChI=1S/C15H16FN3O4/c1-2-13-11(6-19-23-13)8-3-9(5-10(16)4-8)14(20)18-7-12(17)15(21)22/h3-6,12H,2,7,17H2,1H3,(H,18,20)(H,21,22)/t12-/m1/s1
InChIKey	InChI	1.06	SFERCLORGFKWPI-GFCCVEGCSA-N

Related Resource References

Resource Name	Reference
PubChem	164526780

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.