
 CHEMBL488255

 67 71  0  0  0  0  0  0  0  0999 V2000
   10.9516   -0.7803    2.9810 C   0  0  0  0  0
   10.4322   -0.4111    1.6216 C   0  0  0  0  0
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    8.1223  -13.0112   -1.6533 C   0  0  0  0  0
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    5.4026    2.7268   -0.2942 H   0  0  0  0  0
    4.9475    2.7395   -2.0097 H   0  0  0  0  0
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    7.2016   -2.7532    0.3536 H   0  0  0  0  0
    6.7381   -4.9309   -0.2304 H   0  0  0  0  0
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    5.5095   -9.8733   -1.0486 H   0  0  0  0  0
    6.4534  -14.1025   -2.2758 H   0  0  0  0  0
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   11.5804    1.9733   -1.9776 H   0  0  0  0  0
  1  2  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 42  1  0  0  0
  4  5  2  0  0  0
  4 38  1  0  0  0
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 38 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL488255

>  <PubChem CID>
44563051

>  <Formula>
C27H29N5O6

>  <Molecular Weight>
519.558000

>  <IUPAC Name>
methyl (2S)-2-[5,7-dimethyl-3-[2-[[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-2-oxobenzimidazol-1-yl]propanoate

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=C2C(=C1)N(C(=O)N2C(C)C(=O)OC)CC(=O)NC3=CC4=C(CC5(C4)C(=O)NC(=O)N5C)C=C3)C

>  <Isomeric SMILES>
CC1=CC(=C2C(=C1)N(C(=O)N2[C@@H](C)C(=O)OC)CC(=O)NC3=CC4=C(C[C@@]5(C4)C(=O)NC(=O)N5C)C=C3)C

>  <InChI Std. ID>
InChI=1S/C27H29N5O6/c1-14-8-15(2)22-20(9-14)31(26(37)32(22)16(3)23(34)38-5)13-21(33)28-19-7-6-17-11-27(12-18(17)10-19)24(35)29-25(36)30(27)4/h6-10,16H,11-13H2,1-5H3,(H,28,33)(H,29,35,36)/t16-,27+/m0/s1

>  <InChI Key>
BSJYDQGLLSLMFP-RKOGDMNLSA-N

