
 CHEMBL105847

 81 85  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL105847

>  <PubChem CID>
10651575

>  <Formula>
C36H37ClN4O2S

>  <Molecular Weight>
625.228000

>  <IUPAC Name>
(2S)-N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]-1-[(2-chlorophenyl)methylcarbamothioyl]pyrrolidine-2-carboxamide

>  <XlogP>
6.800

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(CC1=CC=CC=C1)C(=O)C(CC2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C4CCCN4C(=S)NCC5=CC=CC=C5Cl

>  <Isomeric SMILES>
CN(CC1=CC=CC=C1)C(=O)[C@H](CC2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=S)NCC5=CC=CC=C5Cl

>  <InChI Std. ID>
InChI=1S/C36H37ClN4O2S/c1-40(25-27-11-4-2-5-12-27)35(43)32(23-26-18-20-29(21-19-26)28-13-6-3-7-14-28)39-34(42)33-17-10-22-41(33)36(44)38-24-30-15-8-9-16-31(30)37/h2-9,11-16,18-21,32-33H,10,17,22-25H2,1H3,(H,38,44)(H,39,42)/t32-,33-/m0/s1

>  <InChI Key>
ARKKFYUXHFNQLU-LQJZCPKCSA-N

