
 MLS001361981

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M  END

>  <Chemical Name>
MLS001361981

>  <PubChem CID>
24892309

>  <Formula>
C28H30F4N2O6

>  <Molecular Weight>
566.550000

>  <IUPAC Name>
methyl (1S,3R,3aS,6aR)-5-ethyl-1-[4-(4-fluorophenyl)phenyl]-3-(2-methylpropyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate;2,2,2-trifluoroacetic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CCN1C(=O)C2C(C1=O)C(NC2C3=CC=C(C=C3)C4=CC=C(C=C4)F)(CC(C)C)C(=O)OC.C(=O)(C(F)(F)F)O

>  <Isomeric SMILES>
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)C4=CC=C(C=C4)F)(CC(C)C)C(=O)OC.C(=O)(C(F)(F)F)O

>  <InChI Std. ID>
InChI=1S/C26H29FN2O4.C2HF3O2/c1-5-29-23(30)20-21(24(29)31)26(14-15(2)3,25(32)33-4)28-22(20)18-8-6-16(7-9-18)17-10-12-19(27)13-11-17;3-2(4,5)1(6)7/h6-13,15,20-22,28H,5,14H2,1-4H3;(H,6,7)/t20-,21-,22-,26-;/m1./s1

>  <InChI Key>
AADJXEUFMXQSPA-PLRPEPICSA-N

