
 CHEMBL287469

 80 82  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL287469

>  <PubChem CID>
44280835

>  <Formula>
C24H39N13O4

>  <Molecular Weight>
573.663000

>  <IUPAC Name>
3-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide

>  <XlogP>
-0.6

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1CCC(CC1)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CN=CN2)C(=O)N)NC(=O)C3=NC(=NN3)N

>  <Isomeric SMILES>
C1CCC(CC1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N)NC(=O)C3=NC(=NN3)N

>  <InChI Std. ID>
InChI=1S/C24H39N13O4/c25-18(38)16(10-14-11-29-12-31-14)33-20(39)15(7-4-8-30-23(26)27)32-21(40)17(9-13-5-2-1-3-6-13)34-22(41)19-35-24(28)37-36-19/h11-13,15-17H,1-10H2,(H2,25,38)(H,29,31)(H,32,40)(H,33,39)(H,34,41)(H4,26,27,30)(H3,28,35,36,37)/t15-,16-,17-/m0/s1

>  <InChI Key>
AJPUJSNLKAYBTL-ULQDDVLXSA-N

