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85I

Summary
Name:[(2~{R})-2-[2-(methylamino)ethoxy-oxidanyl-phosphoryl]oxy-2-(13-methyltetradecanoyloxy)ethyl] 13-methyltetradecanoate
Formula:C35 H70 N O8 P
Formal charge:0
Formula weight:663.906 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[(2~{R})-2-[2-(methylamino)ethoxy-oxidanyl-phosphoryl]oxy-2-(13-methyltetradecanoyloxy)ethyl] 13-methyltetradecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C35H70NO8P/c1-31(2)24-20-16-12-8-6-10-14-18-22-26-33(37)41-30-35(44-45(39,40)42-29-28-36-5)43-34(38)27-23-19-15-11-7-9-13-17-21-25-32(3)4/h31-32,35-36H,6-30H2,1-5H3,(H,39,40)/t35-/m1/s1
InChIKeyInChI1.03JRBIDHJPLMRMHE-PGUFJCEWSA-N
SMILES_CANONICALCACTVS3.385CNCCO[P](O)(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C
SMILESCACTVS3.385CNCCO[P](O)(=O)O[CH](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)CCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCCCCC(C)C)OP(=O)(O)OCCNC
SMILESOpenEye OEToolkits2.0.7CC(C)CCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCC(C)C)OP(=O)(O)OCCNC

225946

PDB entries from 2024-10-09

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