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DHG

Summary
Name:PHOSPHONIC ACID 2-DODECANOYLAMINO-HEXYL ESTER PROPYL ESTER
Formula:C20 H42 N O6 P
Formal charge:0
Formula weight:423.524 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R)-2-(dodecanoylamino)hexyl 2-hydroxyethyl hydrogen (R)-phosphate
OpenEye OEToolkits1.5.0[(2R)-2-(dodecanoylamino)hexyl] 2-hydroxyethyl hydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(OCC(NC(=O)CCCCCCCCCCC)CCCC)(OCCO)O
SMILES_CANONICALCACTVS3.341CCCCCCCCCCCC(=O)N[C@H](CCCC)CO[P@](O)(=O)OCCO
SMILESCACTVS3.341CCCCCCCCCCCC(=O)N[CH](CCCC)CO[P](O)(=O)OCCO
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCCCC(=O)N[C@H](CCCC)CO[P@@](=O)(O)OCCO
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCC(=O)NC(CCCC)COP(=O)(O)OCCO
InChIInChI1.03InChI=1S/C20H42NO6P/c1-3-5-7-8-9-10-11-12-13-15-20(23)21-19(14-6-4-2)18-27-28(24,25)26-17-16-22/h19,22H,3-18H2,1-2H3,(H,21,23)(H,24,25)/t19-/m1/s1
InChIKeyInChI1.03SLLQAGCLXXPCKZ-LJQANCHMSA-N

218853

PDB entries from 2024-04-24

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