
 CHEMBL2208299

 72 74  0  0  0  0  0  0  0  0999 V2000
    4.6278   -7.0002    8.0536 C   0  0  0  0  0
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    1.4615   -5.7254    3.4852 O   0  0  0  0  0
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   13.1628   -2.4380    2.4546 H   0  0  0  0  0
    5.3671   -1.1249    2.7791 H   0  0  0  0  0
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    6.8517    3.0330    8.1807 H   0  0  0  0  0
    5.3525    3.6474    6.3037 H   0  0  0  0  0
    4.2781    1.8961    4.9471 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2208299

>  <PubChem CID>
71450762

>  <Formula>
C29H34N6O3

>  <Molecular Weight>
514.630000

>  <IUPAC Name>
(2R)-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
4

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

>  <Isomeric SMILES>
C1=CC=C(C=C1)C[C@H](C(=O)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C29H34N6O3/c30-26(36)24(19-20-11-4-1-5-12-20)35-27(37)23(17-10-18-33-29(31)32)34-28(38)25(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23-25H,10,17-19H2,(H2,30,36)(H,34,38)(H,35,37)(H4,31,32,33)/t23-,24-/m1/s1

>  <InChI Key>
QHRQNVHQRRXWNL-DNQXCXABSA-N

