
 Ibutamoren

 73 76  0  0  0  0  0  0  0  0999 V2000
    1.0843   -0.5788   -0.0021 C   0  0  0  0  0
    2.4649    0.0572   -0.1679 C   0  0  0  0  0
    3.2432    0.0300    1.1483 C   0  0  0  0  0
    3.3249   -0.6252   -1.2722 C   0  0  0  0  0
    4.0731    0.0401   -1.9937 O   0  0  0  0  0
    3.2739   -1.9958   -1.3645 N   0  0  0  0  0
    4.0340   -2.7011   -2.4010 C   0  0  0  0  0
    5.4001   -3.1597   -1.8677 C   0  0  0  0  0
    6.1715   -3.7148   -2.9282 O   0  0  0  0  0
    7.4087   -4.2691   -2.5010 C   0  0  0  0  0
    7.9474   -5.0767   -3.6527 C   0  0  0  0  0
    8.5625   -4.4364   -4.7386 C   0  0  0  0  0
    9.0287   -5.1757   -5.8266 C   0  0  0  0  0
    8.8793   -6.5605   -5.8437 C   0  0  0  0  0
    8.2592   -7.2079   -4.7771 C   0  0  0  0  0
    7.7900   -6.4701   -3.6885 C   0  0  0  0  0
    3.2392   -3.9399   -2.8856 C   0  0  0  0  0
    2.5091   -4.5316   -2.0799 O   0  0  0  0  0
    3.4051   -4.3832   -4.2024 N   0  0  0  0  0
    3.0035   -5.7516   -4.5259 C   0  0  0  0  0
    2.4672   -5.8881   -5.9529 C   0  0  0  0  0
    3.3988   -5.2555   -7.0032 C   0  0  0  0  0
    3.7301   -3.8125   -6.5859 C   0  0  0  0  0
    4.2983   -3.7482   -5.1762 C   0  0  0  0  0
    4.6945   -6.0967   -7.2360 C   0  0  0  0  0
    4.9322   -6.0877   -8.7127 N   0  0  0  0  0
    3.7320   -5.6550   -9.3494 C   0  0  0  0  0
    3.4785   -5.5140  -10.7032 C   0  0  0  0  0
    2.2330   -5.0233  -11.1029 C   0  0  0  0  0
    1.2736   -4.6573  -10.1506 C   0  0  0  0  0
    1.5613   -4.7449   -8.7879 C   0  0  0  0  0
    2.8052   -5.2294   -8.3972 C   0  0  0  0  0
    5.8409   -7.3519   -9.3667 S   0  0  0  0  0
    6.1153   -7.0882  -10.7637 O   0  0  0  0  0
    6.9270   -7.6385   -8.4509 O   0  0  0  0  0
    4.7060   -8.7270   -9.2869 C   0  0  0  0  0
    2.2584    1.4749   -0.5597 N   0  0  0  0  0
    0.5659   -0.6678   -0.9636 H   0  0  0  0  0
    0.4514    0.0131    0.6701 H   0  0  0  0  0
    1.1530   -1.5830    0.4303 H   0  0  0  0  0
    2.7126    0.5719    1.9398 H   0  0  0  0  0
    4.2332    0.4889    1.0347 H   0  0  0  0  0
    3.4034   -0.9976    1.4928 H   0  0  0  0  0
    2.6127   -2.5483   -0.8278 H   0  0  0  0  0
    4.1633   -1.9998   -3.2240 H   0  0  0  0  0
    5.2635   -3.9078   -1.0766 H   0  0  0  0  0
    5.9452   -2.3084   -1.4448 H   0  0  0  0  0
    7.2674   -4.9088   -1.6219 H   0  0  0  0  0
    8.1029   -3.4643   -2.2358 H   0  0  0  0  0
    8.6686   -3.3540   -4.7459 H   0  0  0  0  0
    9.5001   -4.6731   -6.6673 H   0  0  0  0  0
    9.2303   -7.1344   -6.6989 H   0  0  0  0  0
    8.1370   -8.2876   -4.8016 H   0  0  0  0  0
    7.2952   -6.9896   -2.8715 H   0  0  0  0  0
    2.2472   -6.1127   -3.8210 H   0  0  0  0  0
    3.8901   -6.3839   -4.3918 H   0  0  0  0  0
    2.2889   -6.9471   -6.1797 H   0  0  0  0  0
    1.4844   -5.4007   -5.9876 H   0  0  0  0  0
    4.4405   -3.3526   -7.2847 H   0  0  0  0  0
    2.8200   -3.1971   -6.6217 H   0  0  0  0  0
    5.2602   -4.2619   -5.1256 H   0  0  0  0  0
    4.4772   -2.6999   -4.9475 H   0  0  0  0  0
    4.5530   -7.1235   -6.8827 H   0  0  0  0  0
    5.5718   -5.6825   -6.7315 H   0  0  0  0  0
    4.2238   -5.7514  -11.4547 H   0  0  0  0  0
    2.0155   -4.9063  -12.1622 H   0  0  0  0  0
    0.3123   -4.2668  -10.4773 H   0  0  0  0  0
    0.8339   -4.4016   -8.0585 H   0  0  0  0  0
    4.4418   -8.9236   -8.2473 H   0  0  0  0  0
    5.2142   -9.5997   -9.7031 H   0  0  0  0  0
    3.8199   -8.5044   -9.8829 H   0  0  0  0  0
    1.7758    1.4916   -1.4604 H   0  0  0  0  0
    3.1821    1.8626   -0.7804 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2 37  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 41  1  0  0  0
  3 42  1  0  0  0
  3 43  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 44  1  0  0  0
  7 17  1  0  0  0
  7  8  1  0  0  0
  7 45  1  0  0  0
  8  9  1  0  0  0
  8 46  1  0  0  0
  8 47  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 48  1  0  0  0
 10 49  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 50  1  0  0  0
 13 14  2  0  0  0
 13 51  1  0  0  0
 14 15  1  0  0  0
 14 52  1  0  0  0
 15 16  2  0  0  0
 15 53  1  0  0  0
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 17 19  1  0  0  0
 17 18  2  0  0  0
 19 24  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 55  1  0  0  0
 20 56  1  0  0  0
 21 22  1  0  0  0
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 22 32  1  0  0  0
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 23 60  1  0  0  0
 24 61  1  0  0  0
 24 62  1  0  0  0
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 26 27  1  0  0  0
 26 33  1  0  0  0
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 27 32  1  0  0  0
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 29 30  2  0  0  0
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 31 32  2  0  0  0
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 33 36  1  0  0  0
 33 35  2  0  0  0
 33 34  2  0  0  0
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 37 73  1  0  0  0
M  END

>  <Chemical Name>
Ibutamoren

>  <PubChem CID>
178024

>  <Formula>
C27H36N4O5S

>  <Molecular Weight>
528.668000

>  <IUPAC Name>
2-amino-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC3(CC2)CN(C4=CC=CC=C34)S(=O)(=O)C)N

>  <Isomeric SMILES>
CC(C)(C(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N2CCC3(CC2)CN(C4=CC=CC=C34)S(=O)(=O)C)N

>  <InChI Std. ID>
InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1

>  <InChI Key>
UMUPQWIGCOZEOY-JOCHJYFZSA-N

