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9SW

Summary
Name:methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid
Formula:C21 H41 O6 P
Formal charge:0
Formula weight:420.52 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H41O6P/c1-5-6-7-8-9-10-11-12-13-14-15-19(16-17-28(24,25)27-4)20(18(2)22)21(23)26-3/h19-20H,5-17H2,1-4H3,(H,24,25)/t19-,20+/m1/s1
InChIKeyInChI1.03VBHWHUMRWJDMHN-UXHICEINSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCC[C@H](CC[P](O)(=O)OC)[C@H](C(C)=O)C(=O)OC
SMILESCACTVS3.385CCCCCCCCCCCC[CH](CC[P](O)(=O)OC)[CH](C(C)=O)C(=O)OC
SMILES_CANONICALOpenEye OEToolkits2.0.6CCCCCCCCCCCC[C@H](CCP(=O)(O)OC)[C@H](C(=O)C)C(=O)OC
SMILESOpenEye OEToolkits2.0.6CCCCCCCCCCCCC(CCP(=O)(O)OC)C(C(=O)C)C(=O)OC

218853

PDB entries from 2024-04-24

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