94D

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Summary

Name:{5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
Formula:C11 H15 N2 O4 P S
Formal charge:0
Molecular weight:302.287 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01{5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
OpenEye OEToolkits2.0.6[5-[2-azanyl-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2(c1c(sc(N)n1)CC(C)C)ccc(o2)P(O)(O)=O
InChIInChI1.03InChI=1S/C11H15N2O4PS/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16)
InChIKeyInChI1.03XJMYIJPPDSZOPN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)Cc1sc(N)nc1c2oc(cc2)[P](O)(O)=O
SMILESCACTVS3.385CC(C)Cc1sc(N)nc1c2oc(cc2)[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)Cc1c(nc(s1)N)c2ccc(o2)P(=O)(O)O
SMILESOpenEye OEToolkits2.0.6CC(C)Cc1c(nc(s1)N)c2ccc(o2)P(=O)(O)O
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