
 SCHEMBL7560327

 63 65  0  0  0  0  0  0  0  0999 V2000
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   10.9065    1.6496   -0.9715 N   0  0  0  0  0
   10.0194    3.0527    0.4863 N   0  0  0  0  0
    7.5427   -3.4240   -0.5819 N   0  0  0  0  0
    8.3060   -3.7149   -1.6833 C   0  0  0  0  0
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    9.9702   -6.7950   -2.6582 C   0  0  0  0  0
    9.6288   -5.4705   -2.7816 N   0  0  0  0  0
   -0.6150    1.7105    4.8952 H   0  0  0  0  0
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    2.3579    2.7578    1.9900 H   0  0  0  0  0
    0.2703    3.2775    3.1891 H   0  0  0  0  0
    4.7720    0.4828    3.0319 H   0  0  0  0  0
    4.2518    1.4359    1.6654 H   0  0  0  0  0
    3.7142   -1.5839    1.9883 H   0  0  0  0  0
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    5.5484   -0.1207    0.1416 H   0  0  0  0  0
    7.0378   -1.4733   -1.1313 H   0  0  0  0  0
    8.3162   -1.9897    1.6258 H   0  0  0  0  0
    7.8567   -0.4138    1.0050 H   0  0  0  0  0
    9.4961   -0.7466   -0.9097 H   0  0  0  0  0
   10.0242   -2.2407   -0.1329 H   0  0  0  0  0
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   11.4288   -7.1566   -4.2304 H   0  0  0  0  0
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  1  2  2  0  0  0
  1  6  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
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  3  4  2  0  0  0
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  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
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  6 39  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  8 12  1  0  0  0
  8  9  1  0  0  0
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  9 10  2  0  0  0
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 34 63  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL7560327

>  <PubChem CID>
10163891

>  <Formula>
C24H29N7O3

>  <Molecular Weight>
463.542000

>  <IUPAC Name>
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1H-indole-2-carboxamide

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C2=CC3=CC=CC=C3N2

>  <Isomeric SMILES>
C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C2=CC3=CC=CC=C3N2

>  <InChI Std. ID>
InChI=1S/C24H29N7O3/c25-21(32)19(13-15-7-2-1-3-8-15)31-22(33)18(11-6-12-28-24(26)27)30-23(34)20-14-16-9-4-5-10-17(16)29-20/h1-5,7-10,14,18-19,29H,6,11-13H2,(H2,25,32)(H,30,34)(H,31,33)(H4,26,27,28)/t18-,19-/m0/s1

>  <InChI Key>
OCAOAOJZDIJMIC-OALUTQOASA-N

