FXF

(2R)-2-azanyl-3-(3-bromophenyl)propanoic acid

Created:	2020-06-30
Last modified:	2023-11-01

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1 entries where FXF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	1
Bond Count	23
Aromatic Bond Count	6

2D diagram of FXF

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Chemical Component Summary
Name	(2R)-2-azanyl-3-(3-bromophenyl)propanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-azanyl-3-(3-bromophenyl)propanoic acid
Formula	C₉ H₁₀ Br N O₂
Molecular Weight	244.085
Type	D-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[CH](Cc1cccc(Br)c1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)Br)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	N[C@H](Cc1cccc(Br)c1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)Br)C[C@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
InChIKey	InChI	1.03	GDMOHOYNMWWBAU-MRVPVSSYSA-N

Related Resource References

Resource Name	Reference
PubChem	7047040, 7047039

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