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KBK

Summary
Name:[(R)-{2-[hydroxy(methyl)amino]-2-oxoethoxy}(4-methoxyphenyl)methyl]phosphonic acid
Formula:C11 H16 N O7 P
Formal charge:0
Formula weight:305.221 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[(R)-{2-[hydroxy(methyl)amino]-2-oxoethoxy}(4-methoxyphenyl)methyl]phosphonic acid
OpenEye OEToolkits1.7.6[(R)-(4-methoxyphenyl)-[2-[methyl(oxidanyl)amino]-2-oxidanylidene-ethoxy]methyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(O)C(OCC(=O)N(O)C)c1ccc(OC)cc1
InChIInChI1.03InChI=1S/C11H16NO7P/c1-12(14)10(13)7-19-11(20(15,16)17)8-3-5-9(18-2)6-4-8/h3-6,11,14H,7H2,1-2H3,(H2,15,16,17)/t11-/m1/s1
InChIKeyInChI1.03LUULKKFHGAQKEF-LLVKDONJSA-N
SMILES_CANONICALCACTVS3.370COc1ccc(cc1)[C@H](OCC(=O)N(C)O)[P](O)(O)=O
SMILESCACTVS3.370COc1ccc(cc1)[CH](OCC(=O)N(C)O)[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CN(C(=O)CO[C@@H](c1ccc(cc1)OC)P(=O)(O)O)O
SMILESOpenEye OEToolkits1.7.6CN(C(=O)COC(c1ccc(cc1)OC)P(=O)(O)O)O

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PDB entries from 2024-09-11

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