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TC4

Summary
Name:BUTYL-PHOSPHINIC ACID 2,3-BIS-BUTYLCARBAMOYLOXY-PROPYL ESTER GROUP
Formula:C17 H35 N2 O6 P
Formal charge:0
Formula weight:394.443 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R)-2,3-bis[(butylcarbamoyl)oxy]propyl (S)-butylphosphinate
OpenEye OEToolkits1.5.0[(2R)-1-(butylcarbamoyloxy)-3-butylphosphonoyloxy-propan-2-yl] N-butylcarbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(OCC(OC(=O)NCCCC)COC(=O)NCCCC)CCCC
SMILES_CANONICALCACTVS3.341CCCCNC(=O)OC[C@H](CO[P@H](=O)CCCC)OC(=O)NCCCC
SMILESCACTVS3.341CCCCNC(=O)OC[CH](CO[PH](=O)CCCC)OC(=O)NCCCC
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCNC(=O)OC[C@H](CO[P@H](=O)CCCC)OC(=O)NCCCC
SMILESOpenEye OEToolkits1.5.0CCCCNC(=O)OCC(COP(=O)CCCC)OC(=O)NCCCC
InChIInChI1.03InChI=1S/C17H35N2O6P/c1-4-7-10-18-16(20)23-13-15(14-24-26(22)12-9-6-3)25-17(21)19-11-8-5-2/h15,26H,4-14H2,1-3H3,(H,18,20)(H,19,21)/t15-/m1/s1
InChIKeyInChI1.03QWIXWBNJNKHHHW-OAHLLOKOSA-N

220472

PDB entries from 2024-05-29

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