
 Galnon

 96101  0  0  0  0  0  0  0  0999 V2000
   12.3176  -11.6876    4.8793 C   0  0  0  0  0
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   15.0971   -8.8968    2.0917 O   0  0  0  0  0
   12.8843   -9.0073    1.5247 O   0  0  0  0  0
   11.5859   -9.4105    1.8881 C   0  0  0  0  0
   11.3480  -10.1731    3.0325 C   0  0  0  0  0
   10.0129  -10.4318    3.3743 C   0  0  0  0  0
    8.9597   -9.9582    2.5747 C   0  0  0  0  0
    9.2414   -9.2697    1.3940 C   0  0  0  0  0
   10.5587   -8.9939    1.0442 C   0  0  0  0  0
    8.2238   -8.9540    0.4777 N   0  0  0  0  0
    7.2929   -7.9520    0.7388 C   0  0  0  0  0
    7.2468   -7.2975    1.7762 O   0  0  0  0  0
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    9.1800   -6.5890   -3.7720 C   0  0  0  0  0
    9.5696   -6.1878   -5.1180 N   0  0  0  0  0
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    4.3936   -9.0882   -1.3319 C   0  0  0  0  0
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    1.8349  -12.2694   -4.3366 C   0  0  0  0  0
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    5.6560  -13.3923   -0.2103 O   0  0  0  0  0
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    7.6104   -8.1660   -2.0771 H   0  0  0  0  0
    8.5623   -6.0860   -1.0842 H   0  0  0  0  0
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    8.7799   -7.6053   -3.8308 H   0  0  0  0  0
   10.0727   -6.6272   -3.1391 H   0  0  0  0  0
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    5.7463   -9.7594    0.0618 H   0  0  0  0  0
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    2.4377   -9.9075   -2.9531 H   0  0  0  0  0
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    0.3226  -11.6157   -5.7292 H   0  0  0  0  0
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    4.2207  -16.0901    3.0330 H   0  0  0  0  0
    3.3336  -18.1492    4.1072 H   0  0  0  0  0
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    1.5122  -11.2788    1.3493 H   0  0  0  0  0
  1  2  1  0  0  0
  1 51  1  0  0  0
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  1 53  1  0  0  0
  2  3  2  0  0  0
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M  END

>  <Chemical Name>
Galnon

>  <PubChem CID>
5311268

>  <Formula>
C40H46N4O6

>  <Molecular Weight>
678.830000

>  <IUPAC Name>
9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-6-amino-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxohexan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCCCN)NC(=O)C(CC3CCCCC3)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

>  <Isomeric SMILES>
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3CCCCC3)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

>  <InChI Std. ID>
InChI=1S/C40H46N4O6/c1-25-21-37(45)50-36-23-27(18-19-28(25)36)42-38(46)34(17-9-10-20-41)43-39(47)35(22-26-11-3-2-4-12-26)44-40(48)49-24-33-31-15-7-5-13-29(31)30-14-6-8-16-32(30)33/h5-8,13-16,18-19,21,23,26,33-35H,2-4,9-12,17,20,22,24,41H2,1H3,(H,42,46)(H,43,47)(H,44,48)/t34-,35-/m0/s1

>  <InChI Key>
IKNOZZKXIDSTRN-PXLJZGITSA-N

