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Summary Geometry Related PDB entries

W5F

Summary

Name:	ALX5407
Synonyms:	2-[[(3~{R})-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methyl-amino]ethanoic acid ALX-5407; (R)-NFPS
Formula:	C24 H24 F N O3
Formal charge:	0
Formula weight:	393.451 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	2-[[(3~{R})-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methyl-amino]ethanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1
InChIKey	InChI	1.06	FDORQEIHOKEJNX-HSZRJFAPSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(CC[C@@H](Oc1ccc(cc1)c2ccccc2)c3ccc(F)cc3)CC(O)=O
SMILES	CACTVS	3.385	CN(CC[CH](Oc1ccc(cc1)c2ccccc2)c3ccc(F)cc3)CC(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN(CC[C@H](c1ccc(cc1)F)Oc2ccc(cc2)c3ccccc3)CC(=O)O
SMILES	OpenEye OEToolkits	2.0.7	CN(CCC(c1ccc(cc1)F)Oc2ccc(cc2)c3ccccc3)CC(=O)O

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