
 CHEMBL367208

 73 76  0  0  0  0  0  0  0  0999 V2000
    2.9473    4.1079   -0.8593 C   0  0  0  0  0
    3.0858    2.7388   -0.3119 C   0  0  0  0  0
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    8.6242    1.3029    1.4305 H   0  0  0  0  0
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    5.0007    6.5295    3.4347 H   0  0  0  0  0
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    4.8929   -6.2154   -2.5326 H   0  0  0  0  0
    3.5539   -5.9654   -1.4182 H   0  0  0  0  0
    4.1693   -7.5895   -1.6808 H   0  0  0  0  0
    7.1444   -7.0029   -1.6742 H   0  0  0  0  0
    6.3742   -8.3233   -0.7804 H   0  0  0  0  0
    7.4296   -7.1818    0.0653 H   0  0  0  0  0
    4.8174   -4.0285    2.2694 H   0  0  0  0  0
    2.5425   -4.6401   -0.2130 H   0  0  0  0  0
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   -0.7917    1.5370    1.3110 H   0  0  0  0  0
  1  2  1  0  0  0
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 39 73  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL367208

>  <PubChem CID>
44385593

>  <Formula>
C29H34N6O4

>  <Molecular Weight>
530.629000

>  <IUPAC Name>
5-methyl-2-[(1R)-2-(1-methylindol-3-yl)-1-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]ethyl]-1H-imidazole-4-carboxylic acid

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(N=C(N1)C(CC2=CN(C3=CC=CC=C32)C)NC(=O)C(CC(C)C)NC(=O)NC4=CC=CC=C4)C(=O)O

>  <Isomeric SMILES>
CC1=C(N=C(N1)[C@@H](CC2=CN(C3=CC=CC=C32)C)NC(=O)[C@H](CC(C)C)NC(=O)NC4=CC=CC=C4)C(=O)O

>  <InChI Std. ID>
InChI=1S/C29H34N6O4/c1-17(2)14-23(33-29(39)31-20-10-6-5-7-11-20)27(36)32-22(26-30-18(3)25(34-26)28(37)38)15-19-16-35(4)24-13-9-8-12-21(19)24/h5-13,16-17,22-23H,14-15H2,1-4H3,(H,30,34)(H,32,36)(H,37,38)(H2,31,33,39)/t22-,23+/m1/s1

>  <InChI Key>
AZRZDILDBHZBRH-PKTZIBPZSA-N

