
 CHEMBL297265

 83 86  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL297265

>  <PubChem CID>
44294052

>  <Formula>
C34H39ClN4O5

>  <Molecular Weight>
619.159000

>  <IUPAC Name>
ethyl 1-[(2S)-1-[4-[[2-butyl-4-chloro-5-(2-methoxy-2-oxoethyl)imidazol-1-yl]methyl]anilino]-1-oxo-3-phenylpropan-2-yl]-2-methylpyrrole-3-carboxylate

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)NC(=O)C(CC3=CC=CC=C3)N4C=CC(=C4C)C(=O)OCC)CC(=O)OC)Cl

>  <Isomeric SMILES>
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)NC(=O)[C@H](CC3=CC=CC=C3)N4C=CC(=C4C)C(=O)OCC)CC(=O)OC)Cl

>  <InChI Std. ID>
InChI=1S/C34H39ClN4O5/c1-5-7-13-30-37-32(35)28(21-31(40)43-4)39(30)22-25-14-16-26(17-15-25)36-33(41)29(20-24-11-9-8-10-12-24)38-19-18-27(23(38)3)34(42)44-6-2/h8-12,14-19,29H,5-7,13,20-22H2,1-4H3,(H,36,41)/t29-/m0/s1

>  <InChI Key>
DLNAUNMVOJVTKL-LJAQVGFWSA-N

