A1ILO

(2~{R})-2-azanyl-3-[[3-(5-ethyl-3-methyl-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 A1ILO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	1
Bond Count	43
Aromatic Bond Count	11

2D diagram of A1ILO

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Chemical Component Summary
Name	(2~{R})-2-azanyl-3-[[3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoranyl-phenyl]carbonylamino]propanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-azanyl-3-[[3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoranyl-phenyl]carbonylamino]propanoic acid
Formula	C₁₆ H₁₈ F N₃ O₄
Molecular Weight	335.33
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCc1onc(C)c1c2cc(F)cc(c2)C(=O)NC[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCc1c(c(no1)C)c2cc(cc(c2)F)C(=O)NCC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	CCc1onc(C)c1c2cc(F)cc(c2)C(=O)NC[C@@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCc1c(c(no1)C)c2cc(cc(c2)F)C(=O)NC[C@H](C(=O)O)N
InChI	InChI	1.06	InChI=1S/C16H18FN3O4/c1-3-13-14(8(2)20-24-13)9-4-10(6-11(17)5-9)15(21)19-7-12(18)16(22)23/h4-6,12H,3,7,18H2,1-2H3,(H,19,21)(H,22,23)/t12-/m1/s1
InChIKey	InChI	1.06	YRVGMGPKUOMUSA-GFCCVEGCSA-N

Related Resource References

Resource Name	Reference
PubChem	164527336

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