
 CHEMBL144504

102104  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL144504

>  <PubChem CID>
44363433

>  <Formula>
C36H48FN11O5S

>  <Molecular Weight>
765.910000

>  <IUPAC Name>
N-[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(CC1=CC=C(C=C1)N=C(N)N)NC(=O)C(CC2=CC=C(C=C2)F)NC(=O)C3=CC=CS3

>  <Isomeric SMILES>
CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(CC1=CC=C(C=C1)N=C(N)N)NC(=O)C(CC2=CC=C(C=C2)F)NC(=O)C3=CC=CS3

>  <InChI Std. ID>
InChI=1S/C36H48FN11O5S/c1-20(2)17-26(31(50)45-25(30(38)49)5-3-15-43-35(39)40)46-32(51)27(19-22-9-13-24(14-10-22)44-36(41)42)47-33(52)28(18-21-7-11-23(37)12-8-21)48-34(53)29-6-4-16-54-29/h4,6-14,16,20,25-28H,3,5,15,17-19H2,1-2H3,(H2,38,49)(H,45,50)(H,46,51)(H,47,52)(H,48,53)(H4,39,40,43)(H4,41,42,44)

>  <InChI Key>
ATWPMNBULMFRAH-UHFFFAOYSA-N

