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ULW

Summary
Name:[(2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate
Formula:C22 H35 N O4
Formal charge:0
Formula weight:377.518 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[(2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C22H35NO4/c1-17(2)7-5-8-18(3)9-6-10-19(4)14-16-27-22(26)13-15-23-20(24)11-12-21(23)25/h9,14,17H,5-8,10-13,15-16H2,1-4H3/b18-9-,19-14-
InChIKeyInChI1.03UEVQPHSWLLGCMH-WALGPUPZSA-N
SMILES_CANONICALCACTVS3.385CC(C)CCCC(\C)=C/CCC(/C)=C\COC(=O)CCN1C(=O)CCC1=O
SMILESCACTVS3.385CC(C)CCCC(C)=CCCC(C)=CCOC(=O)CCN1C(=O)CCC1=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)CCC/C(=C\CC/C(=C\COC(=O)CCN1C(=O)CCC1=O)/C)/C
SMILESOpenEye OEToolkits2.0.7CC(C)CCCC(=CCCC(=CCOC(=O)CCN1C(=O)CCC1=O)C)C

222415

PDB entries from 2024-07-10

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