
 CHEMBL504349

 86 89  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL504349

>  <PubChem CID>
25129109

>  <Formula>
C34H42FN5O4

>  <Molecular Weight>
603.739000

>  <IUPAC Name>
(2S)-2-[(3S)-4-[(2R)-3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]-2-oxo-3-propylpiperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCC1C(=O)N(CCN1C(=O)C(CC2=CC=C(C=C2)F)NC(=O)C(C)NC)C(CC3=CC4=CC=CC=C4C=C3)C(=O)NC

>  <Isomeric SMILES>
CCC[C@H]1C(=O)N(CCN1C(=O)[C@@H](CC2=CC=C(C=C2)F)NC(=O)[C@H](C)NC)[C@@H](CC3=CC4=CC=CC=C4C=C3)C(=O)NC

>  <InChI Std. ID>
InChI=1S/C34H42FN5O4/c1-5-8-29-34(44)40(30(32(42)37-4)21-24-11-14-25-9-6-7-10-26(25)19-24)18-17-39(29)33(43)28(38-31(41)22(2)36-3)20-23-12-15-27(35)16-13-23/h6-7,9-16,19,22,28-30,36H,5,8,17-18,20-21H2,1-4H3,(H,37,42)(H,38,41)/t22-,28+,29-,30-/m0/s1

>  <InChI Key>
AHYGIWNTGDKMRR-SUAIOLNFSA-N

