
 CHEMBL3734935

 71 71  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3734935

>  <PubChem CID>
117634961

>  <Formula>
C22H38N6O5

>  <Molecular Weight>
466.583000

>  <IUPAC Name>
(2S)-5-(diaminomethylideneamino)-2-[[2-[(1S)-1-(3,3-dimethylbutanoylamino)-3-methylbutyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]pentanoic acid

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(N=C(O1)C(CC(C)C)NC(=O)CC(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)O

>  <Isomeric SMILES>
CC1=C(N=C(O1)[C@H](CC(C)C)NC(=O)CC(C)(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

>  <InChI Std. ID>
InChI=1S/C22H38N6O5/c1-12(2)10-15(26-16(29)11-22(4,5)6)19-28-17(13(3)33-19)18(30)27-14(20(31)32)8-7-9-25-21(23)24/h12,14-15H,7-11H2,1-6H3,(H,26,29)(H,27,30)(H,31,32)(H4,23,24,25)/t14-,15-/m0/s1

>  <InChI Key>
LIILRFIVVRIGRP-GJZGRUSLSA-N

