
 CHEMBL44134

 75 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL44134

>  <PubChem CID>
44289116

>  <Formula>
C26H38Cl2N4O4S

>  <Molecular Weight>
573.574000

>  <IUPAC Name>
2-[(2R,5R)-2-(2,4-dichlorophenyl)-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-5-yl]-N-(3,3-dimethylbutyl)acetamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)(C)CCNC(=O)CC1C(=O)N(C(S1)C2=C(C=C(C=C2)Cl)Cl)CC(=O)NCCCN3CCOCC3

>  <Isomeric SMILES>
CC(C)(C)CCNC(=O)C[C@@H]1C(=O)N([C@H](S1)C2=C(C=C(C=C2)Cl)Cl)CC(=O)NCCCN3CCOCC3

>  <InChI Std. ID>
InChI=1S/C26H38Cl2N4O4S/c1-26(2,3)7-9-30-22(33)16-21-24(35)32(25(37-21)19-6-5-18(27)15-20(19)28)17-23(34)29-8-4-10-31-11-13-36-14-12-31/h5-6,15,21,25H,4,7-14,16-17H2,1-3H3,(H,29,34)(H,30,33)/t21-,25-/m1/s1

>  <InChI Key>
FFQVZCLQZUZIOY-PXDATVDWSA-N

