
 Galantide (M15)

 58 60  0  0  0  0  0  0  0  0999 V2000
    2.6671   -3.7798    3.9433 C   0  0  0  0  0
    4.0295   -3.4399    3.4151 C   0  0  0  0  0
    5.0794   -4.3530    3.5418 C   0  0  0  0  0
    6.3585   -4.0225    3.0870 C   0  0  0  0  0
    6.6161   -2.7794    2.5038 C   0  0  0  0  0
    5.5716   -1.8658    2.3763 C   0  0  0  0  0
    4.2879   -2.1918    2.8383 C   0  0  0  0  0
    7.9132   -2.6008    2.1132 O   0  0  0  0  0
    8.2971   -1.3762    1.4778 C   0  0  0  0  0
    8.0613   -1.4282   -0.0378 C   0  0  0  0  0
    9.0705   -2.2263   -0.7553 N   0  0  0  0  0
    8.5766   -3.3364   -1.5014 C   0  0  0  0  0
    8.0180   -4.4106   -0.7964 C   0  0  0  0  0
    7.5029   -5.5126   -1.4757 C   0  0  0  0  0
    7.5293   -5.5421   -2.8664 C   0  0  0  0  0
    8.0604   -4.4662   -3.5832 C   0  0  0  0  0
    8.5777   -3.3522   -2.9127 C   0  0  0  0  0
    9.0629   -2.2332   -3.5379 O   0  0  0  0  0
    8.8438   -2.1068   -4.9362 C   0  0  0  0  0
   10.3355   -1.6534   -0.9652 C   0  0  0  0  0
   10.5808   -0.5012   -0.5908 O   0  0  0  0  0
   11.4159   -2.5732   -1.5905 C   0  0  0  0  0
   12.7944   -2.2313   -1.1553 N   0  0  0  0  0
   13.0120   -2.3796    0.2902 C   0  0  0  0  0
   13.0840   -3.8321    0.7661 C   0  0  0  0  0
   14.1242   -4.6211   -0.0215 C   0  0  0  0  0
   13.9070   -4.4620   -1.5223 C   0  0  0  0  0
   13.8016   -2.9854   -1.9158 C   0  0  0  0  0
    2.4012   -4.8106    3.6862 H   0  0  0  0  0
    1.8994   -3.1278    3.5139 H   0  0  0  0  0
    2.6488   -3.6673    5.0319 H   0  0  0  0  0
    4.9119   -5.3252    3.9993 H   0  0  0  0  0
    7.1661   -4.7426    3.1942 H   0  0  0  0  0
    5.7095   -0.8871    1.9319 H   0  0  0  0  0
    3.4901   -1.4577    2.7443 H   0  0  0  0  0
    9.3626   -1.2393    1.6918 H   0  0  0  0  0
    7.7933   -0.5158    1.9309 H   0  0  0  0  0
    8.1098   -0.4072   -0.4359 H   0  0  0  0  0
    7.0589   -1.8115   -0.2611 H   0  0  0  0  0
    8.0058   -4.4090    0.2897 H   0  0  0  0  0
    7.0839   -6.3459   -0.9173 H   0  0  0  0  0
    7.1277   -6.4017   -3.3978 H   0  0  0  0  0
    8.0470   -4.5274   -4.6662 H   0  0  0  0  0
    7.7731   -2.0813   -5.1631 H   0  0  0  0  0
    9.3500   -2.9009   -5.4940 H   0  0  0  0  0
    9.2774   -1.1543   -5.2559 H   0  0  0  0  0
   11.3608   -2.4280   -2.6737 H   0  0  0  0  0
   11.1922   -3.6197   -1.3645 H   0  0  0  0  0
   12.2504   -1.8440    0.8669 H   0  0  0  0  0
   13.9585   -1.8818    0.5411 H   0  0  0  0  0
   13.3396   -3.8549    1.8317 H   0  0  0  0  0
   12.1028   -4.3109    0.6673 H   0  0  0  0  0
   15.1273   -4.2618    0.2400 H   0  0  0  0  0
   14.0816   -5.6802    0.2555 H   0  0  0  0  0
   14.7391   -4.9276   -2.0630 H   0  0  0  0  0
   12.9993   -4.9992   -1.8216 H   0  0  0  0  0
   14.7784   -2.5084   -1.7608 H   0  0  0  0  0
   13.6079   -2.9039   -2.9925 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  4  5  2  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 11 20  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 14 15  2  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 19 46  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 22 48  1  0  0  0
 23 28  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 24 49  1  0  0  0
 24 50  1  0  0  0
 25 26  1  0  0  0
 25 51  1  0  0  0
 25 52  1  0  0  0
 26 27  1  0  0  0
 26 53  1  0  0  0
 26 54  1  0  0  0
 27 28  1  0  0  0
 27 55  1  0  0  0
 27 56  1  0  0  0
 28 57  1  0  0  0
 28 58  1  0  0  0
M  END

>  <Chemical Name>
Galantide (M15)

>  <PubChem CID>
3043477

>  <Formula>
C23H30N2O3

>  <Molecular Weight>
382.504000

>  <IUPAC Name>
N-(2-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]-2-piperidin-1-ylacetamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=C(C=C1)OCCN(C2=CC=CC=C2OC)C(=O)CN3CCCCC3

>  <Isomeric SMILES>
CC1=CC=C(C=C1)OCCN(C2=CC=CC=C2OC)C(=O)CN3CCCCC3

>  <InChI Std. ID>
InChI=1S/C23H30N2O3/c1-19-10-12-20(13-11-19)28-17-16-25(21-8-4-5-9-22(21)27-2)23(26)18-24-14-6-3-7-15-24/h4-5,8-13H,3,6-7,14-18H2,1-2H3

>  <InChI Key>
VQUPYGXNBXITAA-UHFFFAOYSA-N

