
 CHEMBL156186

 88 91  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL156186

>  <PubChem CID>
44370530

>  <Formula>
C36H41N5O6

>  <Molecular Weight>
639.753000

>  <IUPAC Name>
2-acetamido-N-[(2R)-3-(1-acetylindol-2-yl)-1-[[1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxybutanamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C(C(=O)NC(CC1=CC2=CC=CC=C2N1C(=O)C)C(=O)NC(CC3=CC=CC=C3)C(=O)N(C)CC4=CC=CC=C4)NC(=O)C)O

>  <Isomeric SMILES>
CC(C(C(=O)N[C@H](CC1=CC2=CC=CC=C2N1C(=O)C)C(=O)NC(CC3=CC=CC=C3)C(=O)N(C)CC4=CC=CC=C4)NC(=O)C)O

>  <InChI Std. ID>
InChI=1S/C36H41N5O6/c1-23(42)33(37-24(2)43)35(46)38-30(21-29-20-28-17-11-12-18-32(28)41(29)25(3)44)34(45)39-31(19-26-13-7-5-8-14-26)36(47)40(4)22-27-15-9-6-10-16-27/h5-18,20,23,30-31,33,42H,19,21-22H2,1-4H3,(H,37,43)(H,38,46)(H,39,45)/t23?,30-,31?,33?/m1/s1

>  <InChI Key>
POEPROHXWZELFO-XNWJXSQGSA-N

