
 CHEMBL415902

 80 84  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL415902

>  <PubChem CID>
44289063

>  <Formula>
C33H36Cl2N4O4S

>  <Molecular Weight>
655.635000

>  <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-[(2-phenylphenyl)methyl]acetamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1COCCN1CCCNC(=O)CN2C(SC(C2=O)CC(=O)NCC3=CC=CC=C3C4=CC=CC=C4)C5=C(C=C(C=C5)Cl)Cl

>  <Isomeric SMILES>
C1COCCN1CCCNC(=O)CN2[C@H](S[C@@H](C2=O)CC(=O)NCC3=CC=CC=C3C4=CC=CC=C4)C5=C(C=C(C=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C33H36Cl2N4O4S/c34-25-11-12-27(28(35)19-25)33-39(22-31(41)36-13-6-14-38-15-17-43-18-16-38)32(42)29(44-33)20-30(40)37-21-24-9-4-5-10-26(24)23-7-2-1-3-8-23/h1-5,7-12,19,29,33H,6,13-18,20-22H2,(H,36,41)(H,37,40)/t29-,33-/m1/s1

>  <InChI Key>
BERFBIKLVBZVIF-CYTLCNBWSA-N

