
 CHEMBL122108

 83 85  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL122108

>  <PubChem CID>
10530781

>  <Formula>
C34H42N4O3

>  <Molecular Weight>
554.735000

>  <IUPAC Name>
(E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]hex-2-enamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(CC=CC(=O)N(C)C(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)N(C)C(CC3=CC=CC=C3)C(=O)NC)N

>  <Isomeric SMILES>
CC(C)(C/C=C/C(=O)N(C)[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)N(C)[C@H](CC3=CC=CC=C3)C(=O)NC)N

>  <InChI Std. ID>
InChI=1S/C34H42N4O3/c1-34(2,35)22-12-17-31(39)37(4)30(24-26-18-20-28(21-19-26)27-15-10-7-11-16-27)33(41)38(5)29(32(40)36-3)23-25-13-8-6-9-14-25/h6-21,29-30H,22-24,35H2,1-5H3,(H,36,40)/b17-12+/t29-,30-/m1/s1

>  <InChI Key>
OILIMWPRFSABJZ-ORYCTFIOSA-N

