
 CHEMBL389262

116118  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL389262

>  <PubChem CID>
16735510

>  <Formula>
C40H59N11O6

>  <Molecular Weight>
789.983000

>  <IUPAC Name>
(2S)-2-[[2-[[(2S)-2-(6-aminohexanoylamino)-3-phenylpropanoyl]amino]acetyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide

>  <XlogP>
0.700

>  <Hydrogen Bond Donors>
10

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)CNC(=O)C(CC3=CC=CC=C3)NC(=O)CCCCCN

>  <Isomeric SMILES>
CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)CNC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CCCCCN

>  <InChI Std. ID>
InChI=1S/C40H59N11O6/c1-25(2)20-32(49-35(53)24-47-37(55)33(21-26-12-5-3-6-13-26)48-34(52)17-7-4-10-18-41)39(57)50-30(16-11-19-45-40(43)44)38(56)51-31(36(42)54)22-27-23-46-29-15-9-8-14-28(27)29/h3,5-6,8-9,12-15,23,25,30-33,46H,4,7,10-11,16-22,24,41H2,1-2H3,(H2,42,54)(H,47,55)(H,48,52)(H,49,53)(H,50,57)(H,51,56)(H4,43,44,45)/t30-,31-,32-,33-/m0/s1

>  <InChI Key>
DYCQFAIHLRYOPA-YRCZKMHPSA-N

