
 CHEMBL365775

 68 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL365775

>  <PubChem CID>
44403976

>  <Formula>
C23H31N9O5

>  <Molecular Weight>
513.559000

>  <IUPAC Name>
(2S)-1-[(2S)-2-amino-3-(3-methylimidazol-4-yl)propanoyl]-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

>  <XlogP>
-2.7

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CN1C=NC=C1CC(C(=O)N2C(CCC2=O)C(=O)NC(CC3=CN=CN3)C(=O)N4CCCC4C(=O)N)N

>  <Isomeric SMILES>
CN1C=NC=C1C[C@@H](C(=O)N2[C@@H](CCC2=O)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N4CCC[C@H]4C(=O)N)N

>  <InChI Std. ID>
InChI=1S/C23H31N9O5/c1-30-12-27-10-14(30)8-15(24)22(36)32-18(4-5-19(32)33)21(35)29-16(7-13-9-26-11-28-13)23(37)31-6-2-3-17(31)20(25)34/h9-12,15-18H,2-8,24H2,1H3,(H2,25,34)(H,26,28)(H,29,35)/t15-,16-,17-,18-/m0/s1

>  <InChI Key>
WKQRLJGRLFCLNV-XSLAGTTESA-N

