BN1

(S)-2-AMINO-3-[3-HYDROXY-5-(2-METHYL-2H-TETRAZOL-5-YL)ISOXAZOL-4-YL]PROPIONIC ACID

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

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1 entries where BN1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	11

2D diagram of BN1

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Chemical Component Summary
Name	(S)-2-AMINO-3-[3-HYDROXY-5-(2-METHYL-2H-TETRAZOL-5-YL)ISOXAZOL-4-YL]PROPIONIC ACID
Synonyms	2-ME-TET-AMPA
Systematic Name (OpenEye OEToolkits)	2-amino-3-[3-hydroxy-5-(2-methyl-1,2,3,4-tetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid
Formula	C₈ H₁₀ N₆ O₄
Molecular Weight	254.203
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)Cc1c(onc1O)c2nn(nn2)C
SMILES	CACTVS	3.341	Cn1nnc(n1)c2onc(O)c2CC(N)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	Cn1nc(nn1)c2c(c(no2)O)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	Cn1nnc(n1)c2onc(O)c2CC(N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cn1nc(nn1)c2c(c(no2)O)CC(C(=O)O)N
InChI	InChI	1.03	InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)
InChIKey	InChI	1.03	YXLQKZHKWIKJKC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	3481675
ChEMBL	CHEMBL94859

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