
 growth hormone releasing hexapeptide

120125  0  0  0  0  0  0  0  0999 V2000
    7.8722   -2.0454   -2.0775 C   0  0  0  0  0
    6.7243   -2.7855   -1.3863 C   0  0  0  0  0
    5.7456   -1.7475   -0.7977 C   0  0  0  0  0
    5.9674   -1.3177    0.3422 O   0  0  0  0  0
    4.7517   -1.1091   -1.4477 N   0  0  0  0  0
    4.1080   -1.1896   -2.7739 C   0  0  0  0  0
    5.0870   -0.9970   -3.9401 C   0  0  0  0  0
    4.4579   -0.3327   -5.1261 C   0  0  0  0  0
    3.8513   -0.9590   -6.1959 C   0  0  0  0  0
    3.4224    0.0045   -7.0689 N   0  0  0  0  0
    3.7390    1.2554   -6.5925 C   0  0  0  0  0
    3.5060    2.5199   -7.1473 C   0  0  0  0  0
    3.9461    3.6349   -6.4276 C   0  0  0  0  0
    4.5921    3.4893   -5.2025 C   0  0  0  0  0
    4.8177    2.2182   -4.6635 C   0  0  0  0  0
    4.3857    1.0766   -5.3703 C   0  0  0  0  0
    3.2883   -2.4864   -2.8509 C   0  0  0  0  0
    3.7304   -3.4733   -3.4491 O   0  0  0  0  0
    2.1220   -2.6585   -2.1612 N   0  0  0  0  0
    1.1473   -1.7162   -1.5700 C   0  0  0  0  0
    1.7189   -0.6776   -0.5971 C   0  0  0  0  0
    0.6683   -0.0155    0.2661 C   0  0  0  0  0
    0.2618   -0.6090    1.4679 C   0  0  0  0  0
   -0.6876    0.0160    2.2777 C   0  0  0  0  0
   -1.2415    1.2353    1.8926 C   0  0  0  0  0
   -0.8509    1.8297    0.6942 C   0  0  0  0  0
    0.0987    1.2070   -0.1178 C   0  0  0  0  0
    0.3793   -1.0519   -2.7250 C   0  0  0  0  0
    0.9044   -0.1800   -3.4226 O   0  0  0  0  0
   -0.8765   -1.4542   -3.0725 N   0  0  0  0  0
   -1.7673   -2.4747   -2.4980 C   0  0  0  0  0
   -1.2140   -3.9046   -2.5657 C   0  0  0  0  0
   -2.3332   -4.9527   -2.4828 C   0  0  0  0  0
   -1.7777   -6.3779   -2.5159 C   0  0  0  0  0
   -2.8961   -7.4047   -2.3375 C   0  0  0  0  0
   -2.3532   -8.7556   -2.3702 N   0  0  0  0  0
   -2.2481   -2.0395   -1.0996 C   0  0  0  0  0
   -2.3379   -2.7893   -0.1343 O   0  0  0  0  0
   -2.7117   -0.7547   -1.0259 N   0  0  0  0  0
    6.2139   -3.8605   -2.2272 N   0  0  0  0  0
    6.9083   -4.9937   -2.5702 C   0  0  0  0  0
    6.9282   -5.3276   -3.7574 O   0  0  0  0  0
    7.6504   -5.8412   -1.5105 C   0  0  0  0  0
    8.9957   -5.2501   -1.0693 C   0  0  0  0  0
    9.7913   -6.1828   -0.2043 C   0  0  0  0  0
    9.8587   -6.1508    1.1762 C   0  0  0  0  0
   10.6763   -7.1660    1.5922 N   0  0  0  0  0
   11.1434   -7.8717    0.5095 C   0  0  0  0  0
   11.9893   -8.9855    0.4607 C   0  0  0  0  0
   12.3020   -9.5051   -0.7977 C   0  0  0  0  0
   11.7910   -8.9300   -1.9589 C   0  0  0  0  0
   10.9492   -7.8140   -1.8921 C   0  0  0  0  0
   10.6148   -7.2720   -0.6339 C   0  0  0  0  0
    6.7313   -6.0927   -0.3925 N   0  0  0  0  0
    5.8829   -7.1409   -0.1812 C   0  0  0  0  0
    4.9855   -6.9713    0.6505 O   0  0  0  0  0
    6.0505   -8.5054   -0.8888 C   0  0  0  0  0
    5.6723   -8.4595   -2.3791 C   0  0  0  0  0
    5.6143   -9.8153   -3.0040 C   0  0  0  0  0
    4.5700  -10.6503   -3.3355 C   0  0  0  0  0
    5.0316  -11.8029   -3.9199 N   0  0  0  0  0
    6.3398  -11.6857   -3.9318 C   0  0  0  0  0
    6.7418  -10.5054   -3.3754 N   0  0  0  0  0
    7.3944   -9.0773   -0.6142 N   0  0  0  0  0
    8.7361   -2.6989   -2.2301 H   0  0  0  0  0
    8.2071   -1.1847   -1.4881 H   0  0  0  0  0
    7.5879   -1.6823   -3.0673 H   0  0  0  0  0
    7.1277   -3.2722   -0.4957 H   0  0  0  0  0
    4.3699   -0.3947   -0.8409 H   0  0  0  0  0
    3.4041   -0.3543   -2.7997 H   0  0  0  0  0
    5.5359   -1.9393   -4.2669 H   0  0  0  0  0
    5.9160   -0.3572   -3.6132 H   0  0  0  0  0
    3.6933   -2.0085   -6.4112 H   0  0  0  0  0
    2.9468   -0.1717   -7.9424 H   0  0  0  0  0
    3.0040    2.6375   -8.1018 H   0  0  0  0  0
    3.7821    4.6311   -6.8320 H   0  0  0  0  0
    4.9271    4.3695   -4.6595 H   0  0  0  0  0
    5.3259    2.1184   -3.7093 H   0  0  0  0  0
    1.7630   -3.5930   -2.3243 H   0  0  0  0  0
    0.4685   -2.3504   -0.9974 H   0  0  0  0  0
    2.2532    0.1195   -1.1216 H   0  0  0  0  0
    2.4479   -1.1578    0.0674 H   0  0  0  0  0
    0.6891   -1.5564    1.7916 H   0  0  0  0  0
   -0.9867   -0.4470    3.2151 H   0  0  0  0  0
   -1.9700    1.7258    2.5336 H   0  0  0  0  0
   -1.2756    2.7858    0.3989 H   0  0  0  0  0
    0.4033    1.6918   -1.0443 H   0  0  0  0  0
   -1.2107   -0.9754   -3.9014 H   0  0  0  0  0
   -2.6602   -2.4343   -3.1378 H   0  0  0  0  0
   -0.5045   -4.0900   -1.7535 H   0  0  0  0  0
   -0.6687   -4.0441   -3.5071 H   0  0  0  0  0
   -3.0310   -4.8133   -3.3174 H   0  0  0  0  0
   -2.9088   -4.8163   -1.5603 H   0  0  0  0  0
   -1.0343   -6.5011   -1.7182 H   0  0  0  0  0
   -1.2610   -6.5453   -3.4692 H   0  0  0  0  0
   -3.6452   -7.2929   -3.1291 H   0  0  0  0  0
   -3.4003   -7.2470   -1.3778 H   0  0  0  0  0
   -1.9174   -8.9355   -3.2735 H   0  0  0  0  0
   -3.1114   -9.4305   -2.2776 H   0  0  0  0  0
   -2.3954   -0.0663   -1.6969 H   0  0  0  0  0
   -2.9268   -0.4176   -0.0943 H   0  0  0  0  0
    5.6208   -3.5824   -3.0063 H   0  0  0  0  0
    7.8620   -6.7926   -2.0009 H   0  0  0  0  0
    8.8655   -4.3221   -0.5079 H   0  0  0  0  0
    9.5898   -4.9902   -1.9548 H   0  0  0  0  0
    9.3911   -5.4930    1.8982 H   0  0  0  0  0
   10.9040   -7.3748    2.5554 H   0  0  0  0  0
   12.3904   -9.4354    1.3621 H   0  0  0  0  0
   12.9563  -10.3714   -0.8713 H   0  0  0  0  0
   12.0504   -9.3497   -2.9291 H   0  0  0  0  0
   10.5587   -7.3757   -2.8063 H   0  0  0  0  0
    6.4327   -5.2836    0.1385 H   0  0  0  0  0
    5.3368   -9.1814   -0.3969 H   0  0  0  0  0
    6.3734   -7.8556   -2.9598 H   0  0  0  0  0
    4.6961   -7.9704   -2.4898 H   0  0  0  0  0
    3.5110  -10.4830   -3.1887 H   0  0  0  0  0
    7.0398  -12.4128   -4.3183 H   0  0  0  0  0
    7.6951  -10.2039   -3.2306 H   0  0  0  0  0
    7.4123   -9.3581    0.3688 H   0  0  0  0  0
    8.1044   -8.3480   -0.6668 H   0  0  0  0  0
  1  2  1  0  0  0
  1 65  1  0  0  0
  1 66  1  0  0  0
  1 67  1  0  0  0
  2 40  1  0  0  0
  2  3  1  0  0  0
  2 68  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 69  1  0  0  0
  6 17  1  0  0  0
  6  7  1  0  0  0
  6 70  1  0  0  0
  7  8  1  0  0  0
  7 71  1  0  0  0
  7 72  1  0  0  0
  8 16  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 73  1  0  0  0
 10 11  1  0  0  0
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M  END

>  <Chemical Name>
growth hormone releasing hexapeptide

>  <PubChem CID>
4345065

>  <Formula>
C46H56N12O6

>  <Molecular Weight>
873.032000

>  <IUPAC Name>
6-amino-2-[[2-[[2-[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
11

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC6=CN=CN6)N

>  <Isomeric SMILES>
CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC6=CN=CN6)N

>  <InChI Std. ID>
InChI=1S/C46H56N12O6/c1-27(54-44(62)39(20-29-23-51-35-15-7-5-13-32(29)35)57-43(61)34(48)22-31-25-50-26-53-31)42(60)56-40(21-30-24-52-36-16-8-6-14-33(30)36)46(64)58-38(19-28-11-3-2-4-12-28)45(63)55-37(41(49)59)17-9-10-18-47/h2-8,11-16,23-27,34,37-40,51-52H,9-10,17-22,47-48H2,1H3,(H2,49,59)(H,50,53)(H,54,62)(H,55,63)(H,56,60)(H,57,61)(H,58,64)

>  <InChI Key>
WZHKXNSOCOQYQX-UHFFFAOYSA-N

