
 [125I]GTI

 60 62  0  0  0  0  0  0  0  0999 V2000
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   -8.3344  -15.7861    1.6690 C   0  0  0  0  0
   -7.4261  -16.9248    1.5152 N   0  0  0  0  0
   -2.1354   -7.4547    3.2745 I   0  0  0  0  0
    0.3086   -6.3203    1.4545 O   0  0  0  0  0
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   -3.1428  -13.1812   -4.6385 H   0  0  0  0  0
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   -4.0275   -7.1241   -2.7808 H   0  0  0  0  0
   -6.1267   -9.2851   -2.9219 H   0  0  0  0  0
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  1  2  2  0  0  0
  1  6  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
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  4  5  1  0  0  0
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  6  7  1  0  0  0
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  7 38  1  0  0  0
  7 39  1  0  0  0
  8 12  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
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  9 10  2  0  0  0
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M  END

>  <Chemical Name>
[125I]GTI

>  <PubChem CID>
73755035

>  <Formula>
C23H26IN5O5

>  <Molecular Weight>
577.396000

>  <IUPAC Name>
(2S)-2-[[2-[[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]amino]acetyl]amino]-3-(4-hydroxy-3-iodanylphenyl)propanamide

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC(=C(C=C1CC(C(=O)N)NC(=O)CNC(=O)COC2=CC3=C(C=C2)NC=C3CCN)I)O

>  <Isomeric SMILES>
C1=CC(=C(C=C1C[C@@H](C(=O)N)NC(=O)CNC(=O)COC2=CC3=C(C=C2)NC=C3CCN)[125I])O

>  <InChI Std. ID>
InChI=1S/C23H26IN5O5/c24-17-7-13(1-4-20(17)30)8-19(23(26)33)29-21(31)11-28-22(32)12-34-15-2-3-18-16(9-15)14(5-6-25)10-27-18/h1-4,7,9-10,19,27,30H,5-6,8,11-12,25H2,(H2,26,33)(H,28,32)(H,29,31)/t19-/m0/s1/i24-2

>  <InChI Key>
JVQSCVCNDUJMMW-BYWNROPASA-N

