
 CHEMBL555821

 77 81  0  0  0  0  0  0  0  0999 V2000
    3.5423   -1.5218   -0.8417 C   0  0  0  0  0
    3.0529   -0.4746    0.1427 C   0  0  0  0  0
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    5.5077    6.1453    1.4085 C   0  0  0  0  0
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    1.9902   -0.2500   -0.0054 H   0  0  0  0  0
    5.4113    2.5086   -0.5706 H   0  0  0  0  0
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    2.6433    5.9149    1.6067 H   0  0  0  0  0
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    3.5431    7.2850   -0.9701 H   0  0  0  0  0
    6.4209    7.8833    3.3785 H   0  0  0  0  0
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    8.2825    9.2608    4.9631 H   0  0  0  0  0
    9.3014    9.1818    7.2444 H   0  0  0  0  0
    8.5297    8.8302    9.9229 H   0  0  0  0  0
    6.5142    8.4006   11.3162 H   0  0  0  0  0
    4.2933    8.1475   10.2663 H   0  0  0  0  0
    4.0317    8.3265    7.8118 H   0  0  0  0  0
    4.6135    6.1215    5.0228 H   0  0  0  0  0
    6.5930    4.7806    7.1361 H   0  0  0  0  0
    5.7689    3.2136    7.0216 H   0  0  0  0  0
    4.8902    4.7035    6.6797 H   0  0  0  0  0
    5.5067    3.2237    3.2379 H   0  0  0  0  0
    4.2493    3.9264    4.2516 H   0  0  0  0  0
    4.9749    2.3763    4.6971 H   0  0  0  0  0
    8.2349    3.8068    5.5353 H   0  0  0  0  0
    7.8529    3.3671    4.0431 H   0  0  0  0  0
    4.5326    6.8035   -3.0938 H   0  0  0  0  0
    4.9338    5.7967   -5.3204 H   0  0  0  0  0
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    4.9011    1.8516   -3.6056 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL555821

>  <PubChem CID>
44315063

>  <Formula>
C31H38N4O4

>  <Molecular Weight>
530.669000

>  <IUPAC Name>
ethyl (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylate

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCOC(=O)C1CC2(CCN(CC2)C(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(C)(C)N)C5=CC=CC=C15

>  <Isomeric SMILES>
CCOC(=O)[C@@H]1CC2(CCN(CC2)C(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)C(C)(C)N)C5=CC=CC=C15

>  <InChI Std. ID>
InChI=1S/C31H38N4O4/c1-4-39-28(37)23-18-31(24-11-7-5-10-22(23)24)13-15-35(16-14-31)27(36)26(34-29(38)30(2,3)32)17-20-19-33-25-12-8-6-9-21(20)25/h5-12,19,23,26,33H,4,13-18,32H2,1-3H3,(H,34,38)/t23-,26-/m1/s1

>  <InChI Key>
FOZKMUDHUVEEOZ-ZEQKJWHPSA-N

