
 CHEMBL58442

 57 60  0  0  0  0  0  0  0  0999 V2000
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    8.8707   -6.0000   -3.2697 N   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL58442

>  <PubChem CID>
44301620

>  <Formula>
C24H25N5O3

>  <Molecular Weight>
431.496000

>  <IUPAC Name>
benzyl N-[(2S)-1-[2-(1H-imidazol-5-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCCC4=CN=CN4

>  <Isomeric SMILES>
C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCCC4=CN=CN4

>  <InChI Std. ID>
InChI=1S/C24H25N5O3/c30-23(26-11-10-19-14-25-16-28-19)22(12-18-13-27-21-9-5-4-8-20(18)21)29-24(31)32-15-17-6-2-1-3-7-17/h1-9,13-14,16,22,27H,10-12,15H2,(H,25,28)(H,26,30)(H,29,31)/t22-/m0/s1

>  <InChI Key>
JTDSRZGLMVOLMU-QFIPXVFZSA-N

