
 CHEMBL370261

129132  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL370261

>  <PubChem CID>
11239907

>  <Formula>
C46H67N11O5

>  <Molecular Weight>
854.114000

>  <IUPAC Name>
N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]tetradecanamide

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCCCCCCCCCCC(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N

>  <Isomeric SMILES>
CCCCCCCCCCCCCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N

>  <InChI Std. ID>
InChI=1S/C46H67N11O5/c1-2-3-4-5-6-7-8-9-10-11-15-24-41(58)54-40(28-34-30-50-31-53-34)45(62)57-39(26-32-19-13-12-14-20-32)44(61)55-37(23-18-25-51-46(48)49)43(60)56-38(42(47)59)27-33-29-52-36-22-17-16-21-35(33)36/h12-14,16-17,19-22,29-31,37-40,52H,2-11,15,18,23-28H2,1H3,(H2,47,59)(H,50,53)(H,54,58)(H,55,61)(H,56,60)(H,57,62)(H4,48,49,51)/t37-,38-,39+,40-/m0/s1

>  <InChI Key>
DPZNJGKLXUVILJ-YOEXWAKESA-N

