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6OE

Summary
Name:(2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate
Formula:C17 H34 N O8 P
Formal charge:0
Formula weight:411.428 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate
OpenEye OEToolkits2.0.4[(2~{S})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-hexanoyloxy-propyl] hexanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NCCOP(=O)(O)OCC(COC(CCCCC)=O)OC(CCCCC)=O
InChIInChI1.03InChI=1S/C17H34NO8P/c1-3-5-7-9-16(19)23-13-15(26-17(20)10-8-6-4-2)14-25-27(21,22)24-12-11-18/h15H,3-14,18H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyInChI1.03PELYUHWUVHDSSU-HNNXBMFYSA-N
SMILES_CANONICALCACTVS3.385CCCCCC(=O)OC[C@@H](CO[P](O)(=O)OCCN)OC(=O)CCCCC
SMILESCACTVS3.385CCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCC
SMILES_CANONICALOpenEye OEToolkits2.0.4CCCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCC
SMILESOpenEye OEToolkits2.0.4CCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCC

222415

건을2024-07-10부터공개중

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