
 CHEMBL331093

 86 89  0  0  0  0  0  0  0  0999 V2000
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    1.9549    1.5266   -0.3428 H   0  0  0  0  0
    0.8565    0.5695   -1.0690 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL331093

>  <PubChem CID>
10745618

>  <Formula>
C35H44N4O3

>  <Molecular Weight>
568.762000

>  <IUPAC Name>
(E)-5-amino-N-[(2R)-1-[[(2R)-1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(CC=CC(=O)N(C)C(CC1=CC2=CC=CC=C2C=C1)C(=O)N(C)C(CC3=CC=CC=C3)C(=O)NCC4CC4)N

>  <Isomeric SMILES>
CC(C)(C/C=C/C(=O)N(C)[C@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N(C)[C@H](CC3=CC=CC=C3)C(=O)NCC4CC4)N

>  <InChI Std. ID>
InChI=1S/C35H44N4O3/c1-35(2,36)20-10-15-32(40)38(3)31(23-27-18-19-28-13-8-9-14-29(28)21-27)34(42)39(4)30(22-25-11-6-5-7-12-25)33(41)37-24-26-16-17-26/h5-15,18-19,21,26,30-31H,16-17,20,22-24,36H2,1-4H3,(H,37,41)/b15-10+/t30-,31-/m1/s1

>  <InChI Key>
LLWWGVBTMDXOJI-BFYFNOAVSA-N

