
 CHEMBL268659

108111  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL268659

>  <PubChem CID>
16735729

>  <Formula>
C40H51N11O6

>  <Molecular Weight>
781.919000

>  <IUPAC Name>
N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]pyridine-4-carboxamide

>  <XlogP>
1.200

>  <Hydrogen Bond Donors>
9

>  <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)C4=CC=NC=C4

>  <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)C4=CC=NC=C4

>  <InChI Std. ID>
InChI=1S/C40H51N11O6/c1-24(2)19-32(48-34(52)23-47-37(55)33(20-25-9-4-3-5-10-25)51-36(54)26-14-17-44-18-15-26)39(57)49-30(13-8-16-45-40(42)43)38(56)50-31(35(41)53)21-27-22-46-29-12-7-6-11-28(27)29/h3-7,9-12,14-15,17-18,22,24,30-33,46H,8,13,16,19-21,23H2,1-2H3,(H2,41,53)(H,47,55)(H,48,52)(H,49,57)(H,50,56)(H,51,54)(H4,42,43,45)/t30-,31-,32-,33-/m0/s1

>  <InChI Key>
AGVSTORRAXPNFD-YRCZKMHPSA-N

