2T6

{[(7-carbamoyl-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid

Created:	2009-10-22
Last modified:	2011-06-04

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1 entries where 2T6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	12

2D diagram of 2T6

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Chemical Component Summary
Name	{[(7-carbamoyl-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
Systematic Name (OpenEye OEToolkits)	(5-aminocarbonyl-4H-indeno[1,2-d][1,3]thiazol-8-yl)oxymethylphosphonic acid
Formula	C₁₂ H₁₁ N₂ O₅ P S
Molecular Weight	326.265
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=P(O)(O)COc1c2c(c(C(=O)N)cc1)Cc3scnc23
SMILES	CACTVS	3.352	NC(=O)c1ccc(OC[P](O)(O)=O)c2c1Cc3scnc23
SMILES	OpenEye OEToolkits	1.7.0	c1cc(c-2c(c1C(=O)N)Cc3c2ncs3)OCP(=O)(O)O
Canonical SMILES	CACTVS	3.352	NC(=O)c1ccc(OC[P](O)(O)=O)c2c1Cc3scnc23
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc(c-2c(c1C(=O)N)Cc3c2ncs3)OCP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C12H11N2O5PS/c13-12(15)6-1-2-8(19-5-20(16,17)18)10-7(6)3-9-11(10)14-4-21-9/h1-2,4H,3,5H2,(H2,13,15)(H2,16,17,18)
InChIKey	InChI	1.03	APAVSBDDVLUPIF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL589266
PubChem	16079088
ChEMBL	CHEMBL589266

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