
 CHEMBL262889

 90 93  0  0  0  0  0  0  0  0999 V2000
    3.2337    3.2780  -10.1477 C   0  0  0  0  0
    3.4697    1.8341   -9.6766 C   0  0  0  0  0
    4.9726    1.5277   -9.7042 C   0  0  0  0  0
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    0.9840   -2.0152   -5.9552 N   0  0  0  0  0
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    0.6810   -0.8255    0.9058 H   0  0  0  0  0
    2.1165    0.6568    2.2535 H   0  0  0  0  0
    4.2779    1.4674    1.3441 H   0  0  0  0  0
    5.0100    0.7811   -0.9072 H   0  0  0  0  0
    4.6157   -0.5192   -2.9889 H   0  0  0  0  0
    3.2407   -2.0035   -4.3160 H   0  0  0  0  0
    1.7252   -5.7143   -4.0353 H   0  0  0  0  0
    2.3369   -5.8783   -5.7011 H   0  0  0  0  0
    1.5306   -7.2445   -4.9027 H   0  0  0  0  0
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    0.8258   -7.9694   -6.9755 H   0  0  0  0  0
    0.3693   -6.6430   -8.0177 H   0  0  0  0  0
   -2.3773   -6.7619   -8.6679 H   0  0  0  0  0
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   -1.1619  -11.5554   -9.1144 H   0  0  0  0  0
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   -4.5990   -7.0323   -3.3864 H   0  0  0  0  0
   -6.2267   -7.6209   -3.7416 H   0  0  0  0  0
   -6.0251   -5.9195   -5.4145 H   0  0  0  0  0
   -4.3190   -6.2922   -5.6778 H   0  0  0  0  0
   -6.7293   -7.9475   -6.5112 H   0  0  0  0  0
   -5.2659   -7.5754   -7.4462 H   0  0  0  0  0
    1.7878    1.0694  -10.5755 H   0  0  0  0  0
    2.9708   -0.0297  -10.3660 H   0  0  0  0  0
  1  2  1  0  0  0
  1 45  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL262889

>  <PubChem CID>
10675061

>  <Formula>
C36H46N4O4

>  <Molecular Weight>
598.788000

>  <IUPAC Name>
(E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-oxo-1-(oxolan-2-ylmethylamino)-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(CC=CC(=O)N(C)C(CC1=CC2=CC=CC=C2C=C1)C(=O)N(C)C(CC3=CC=CC=C3)C(=O)NCC4CCCO4)N

>  <Isomeric SMILES>
CC(C)(C/C=C/C(=O)N(C)[C@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N(C)[C@H](CC3=CC=CC=C3)C(=O)NCC4CCCO4)N

>  <InChI Std. ID>
InChI=1S/C36H46N4O4/c1-36(2,37)20-10-17-33(41)39(3)32(24-27-18-19-28-14-8-9-15-29(28)22-27)35(43)40(4)31(23-26-12-6-5-7-13-26)34(42)38-25-30-16-11-21-44-30/h5-10,12-15,17-19,22,30-32H,11,16,20-21,23-25,37H2,1-4H3,(H,38,42)/b17-10+/t30?,31-,32-/m1/s1

>  <InChI Key>
RZBXAFOFICUSBO-QBJYBSHMSA-N

