
 CHEMBL124831

 86 88  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL124831

>  <PubChem CID>
10841400

>  <Formula>
C34H42F2N4O4

>  <Molecular Weight>
608.731000

>  <IUPAC Name>
(E)-5-amino-N-[(2R)-1-[[(2R)-3-(3,4-difluorophenyl)-1-[[(2S)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide

>  <XlogP>
4.200

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(CNC(=O)C(CC1=CC(=C(C=C1)F)F)N(C)C(=O)C(CC2=CC3=CC=CC=C3C=C2)N(C)C(=O)C=CCC(C)(C)N)O

>  <Isomeric SMILES>
C[C@@H](CNC(=O)[C@@H](CC1=CC(=C(C=C1)F)F)N(C)C(=O)[C@@H](CC2=CC3=CC=CC=C3C=C2)N(C)C(=O)/C=C/CC(C)(C)N)O

>  <InChI Std. ID>
InChI=1S/C34H42F2N4O4/c1-22(41)21-38-32(43)29(19-24-13-15-27(35)28(36)18-24)40(5)33(44)30(39(4)31(42)11-8-16-34(2,3)37)20-23-12-14-25-9-6-7-10-26(25)17-23/h6-15,17-18,22,29-30,41H,16,19-21,37H2,1-5H3,(H,38,43)/b11-8+/t22-,29+,30+/m0/s1

>  <InChI Key>
OISOQYNHVYYIEA-IPMDKBSNSA-N

