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XKP

Summary
Name:(11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate
Formula:C23 H46 N O8 P
Formal charge:0
Formula weight:495.587 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate
OpenEye OEToolkits2.0.7[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octanoyloxy-propan-2-yl] decanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(CCCCCCCCC)(=O)OC(COC(=O)CCCCCCC)COP(O)(=O)OCCN
InChIInChI1.03InChI=1S/C23H46NO8P/c1-3-5-7-9-10-12-14-16-23(26)32-21(20-31-33(27,28)30-18-17-24)19-29-22(25)15-13-11-8-6-4-2/h21H,3-20,24H2,1-2H3,(H,27,28)/t21-/m1/s1
InChIKeyInChI1.03VYUSSAVVRCGYLY-OAQYLSRUSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)CO[P](O)(=O)OCCN
SMILESCACTVS3.385CCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCC)CO[P](O)(=O)OCCN
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)COP(=O)(O)OCCN
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COP(=O)(O)OCCN

222415

건을2024-07-10부터공개중

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