Showing RIpred-Card for Difelikefalin,2TMS,isomer#21 (RI01721684)

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IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01721684
Compound Identification
Common NameDifelikefalin,2TMS,isomer#21
Structure
Average Molecular Weight823.4848
SMILESCC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(C(=O)O)(N([Si](C)(C)C)[Si](C)(C)C)CC1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index8757.619
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices