G56

(2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid

Created:	2020-07-22
Last modified:	2021-09-08

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3 entries where G56 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	1
Bond Count	44
Aromatic Bond Count	12

2D diagram of G56

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Chemical Component Summary
Name	(2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid
Formula	C₁₈ H₁₆ F₃ N O₅
Molecular Weight	383.319
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)[CH](Cc1ccccc1)NC(=O)COc2ccc(OC(F)(F)F)cc2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CC(C(=O)O)NC(=O)COc2ccc(cc2)OC(F)(F)F
Canonical SMILES	CACTVS	3.385	OC(=O)[C@H](Cc1ccccc1)NC(=O)COc2ccc(OC(F)(F)F)cc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)COc2ccc(cc2)OC(F)(F)F
InChI	InChI	1.03	InChI=1S/C18H16F3NO5/c19-18(20,21)27-14-8-6-13(7-9-14)26-11-16(23)22-15(17(24)25)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,22,23)(H,24,25)/t15-/m0/s1
InChIKey	InChI	1.03	BLLJCGYPRKIGQL-HNNXBMFYSA-N

Related Resource References

Resource Name	Reference
PubChem	156595818

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