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2T6

Summary
Name:{[(7-carbamoyl-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
Formula:C12 H11 N2 O5 P S
Formal charge:0
Formula weight:326.265 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.02{[(7-carbamoyl-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
OpenEye OEToolkits1.6.1(5-aminocarbonyl-4H-indeno[1,2-d][1,3]thiazol-8-yl)oxymethylphosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=P(O)(O)COc1c2c(c(C(=O)N)cc1)Cc3scnc23
SMILES_CANONICALCACTVS3.352NC(=O)c1ccc(OC[P](O)(O)=O)c2c1Cc3scnc23
SMILESCACTVS3.352NC(=O)c1ccc(OC[P](O)(O)=O)c2c1Cc3scnc23
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(c-2c(c1C(=O)N)Cc3c2ncs3)OCP(=O)(O)O
SMILESOpenEye OEToolkits1.7.0c1cc(c-2c(c1C(=O)N)Cc3c2ncs3)OCP(=O)(O)O
InChIInChI1.03InChI=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)
InChIKeyInChI1.03APAVSBDDVLUPIF-UHFFFAOYSA-N

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PDB entries from 2024-07-17

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