BRH

(S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISOXAZOL-5-YL)PROPIONIC ACID

Created:	2002-07-11
Last modified:	2021-03-01

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2 entries where BRH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	5

2D diagram of BRH

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Chemical Component Summary
Name	(S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISOXAZOL-5-YL)PROPIONIC ACID
Synonyms	BR-HIBO
Systematic Name (OpenEye OEToolkits)	2-amino-3-(4-bromo-3-hydroxy-1,2-oxazol-5-yl)propanoic acid
Formula	C₆ H₇ Br N₂ O₄
Molecular Weight	251.035
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Brc1c(onc1O)CC(C(=O)O)N
SMILES	CACTVS	3.341	NC(Cc1onc(O)c1Br)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(c1c(c(no1)O)Br)C(C(=O)O)N
Canonical SMILES	CACTVS	3.341	NC(Cc1onc(O)c1Br)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(c1c(c(no1)O)Br)C(C(=O)O)N
InChI	InChI	1.03	InChI=1S/C6H7BrN2O4/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12)
InChIKey	InChI	1.03	JRTOQOAGTSUNHA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL73698
PubChem	57369840, 2733518
ChEMBL	CHEMBL73698

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