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ZUV

Summary
Name:ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate
Formula:C17 H31 F N O4 P
Formal charge:0
Formula weight:363.405 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate
OpenEye OEToolkits2.0.710-[ethoxy(fluoranyl)phosphoryl]decyl ~{N}-but-3-ynylcarbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FP(=O)(CCCCCCCCCCOC(=O)NCCC#C)OCC
InChIInChI1.06InChI=1S/C17H31FNO4P/c1-3-5-14-19-17(20)22-15-12-10-8-6-7-9-11-13-16-24(18,21)23-4-2/h1H,4-16H2,2H3,(H,19,20)/t24-/m1/s1
InChIKeyInChI1.06XPLTVISHLDPSGW-XMMPIXPASA-N
SMILES_CANONICALCACTVS3.385CCO[P@](F)(=O)CCCCCCCCCCOC(=O)NCCC#C
SMILESCACTVS3.385CCO[P](F)(=O)CCCCCCCCCCOC(=O)NCCC#C
SMILES_CANONICALOpenEye OEToolkits2.0.7CCO[P@](=O)(CCCCCCCCCCOC(=O)NCCC#C)F
SMILESOpenEye OEToolkits2.0.7CCOP(=O)(CCCCCCCCCCOC(=O)NCCC#C)F

221051

PDB entries from 2024-06-12

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