
 CHEMBL264190

 93 96  0  0  0  0  0  0  0  0999 V2000
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    9.3748    5.3327   -2.2181 H   0  0  0  0  0
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   11.9367    5.4049   -2.4092 H   0  0  0  0  0
   11.1486    3.0278   -2.6076 H   0  0  0  0  0
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   14.2026    3.2394   -2.3539 H   0  0  0  0  0
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    8.0290   13.0371    5.2140 H   0  0  0  0  0
    6.8093   13.6441    3.1327 H   0  0  0  0  0
    6.5452   12.0010    1.3083 H   0  0  0  0  0
    7.4909    9.7258    1.5128 H   0  0  0  0  0
   11.6016    9.0939    0.3145 H   0  0  0  0  0
   12.9141    9.4258    1.3783 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL264190

>  <PubChem CID>
11093672

>  <Formula>
C34H43N11O5

>  <Molecular Weight>
685.790000

>  <IUPAC Name>
(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide

>  <XlogP>
-0.300

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(=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>
CC(=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/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1

>  <InChI Key>
DFCJPPDAOZROBS-FKWFRFQNSA-N

