FRAKEFAMIDE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DM32B4GU70
EPA CompTox DTXSID701030318

Structure

InChI Key HESSKXOHGGYIFY-JTQLPTLWSA-N
Smiles C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)Cc3ccc(F)cc3
InChI
InChI=1S/C30H34FN5O5/c1-18(34-28(39)24(32)16-21-9-13-23(37)14-10-21)27(38)36-30(41)26(17-19-5-3-2-4-6-19)35-29(40)25(33)15-20-7-11-22(31)12-8-20/h2-14,18,24-26,37H,15-17,32-33H2,1H3,(H,34,39)(H,35,40)(H,36,38,41)/t18-,24+,25+,26+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H34F1N5O5
Molecular Weight 563.25
AlogP 3.37
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 12.0
Polar Surface Area 187.11
Heavy Atoms 41.0

Cross References

Resources Reference
CAS NUMBER 188196-22-7
NORMAN SUSDAT
FDA SRS DM32B4GU70
CONTENTS