OPA

2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID

Created:	2000-04-18
Last modified:	2011-06-04

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2 entries where OPA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	5

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Chemical Component Summary
Name	2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	2-(carboxycarbonylamino)-5,7-dihydro-4H-thieno[5,4-c]pyran-3-carboxylic acid
Formula	C₁₀ H₉ N O₆ S
Molecular Weight	271.247
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCOC2
SMILES	CACTVS	3.341	OC(=O)C(=O)Nc1sc2COCCc2c1C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C1COCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)C(=O)Nc1sc2COCCc2c1C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1COCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C10H9NO6S/c12-7(10(15)16)11-8-6(9(13)14)4-1-2-17-3-5(4)18-8/h1-3H2,(H,11,12)(H,13,14)(H,15,16)
InChIKey	InChI	1.03	SNNOZMNTPOIDSI-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03102
Name	2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid
Groups	experimental
Synonyms	2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Tyrosine-protein phosphatase non-receptor type 1	MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVS...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682