Molecule FYI-1016445

A

Molecule Summary:

ID: FYI-1016445
Names:
InChIKey: XUIIKFGFIJCVMT-LBPRGKRZSA-N
SMILES: N[C@@H](Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2)C(=O)O

Received at FYIcenter.com on: 2026-01-08

Molecule ID: FYI-1016445 Edit

Molecule Structure InChIKey: XUIIKFGFIJCVMT-LBPRGKRZSA-N

Molecule Structure SMILES String: N[C@@H](Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016445
FYIcenter.com

 24 25  0  0  1  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 18 10  1  0  0  0  0
 19  8  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 21  4  1  0  0  0  0
 22  2  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016445-3D
FYIcenter.com

 35 36  0     1  0  0  0  0  0999 V2000
    0.1456   -0.7021   -3.2374 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.6342   -2.5402    2.5616 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.5942   -0.2322   -0.4190 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.8786    3.3285    1.1090 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.4387   -1.8017   -0.4835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2006    2.1698   -0.5863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3952    1.8399   -1.0559 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9129    2.3590    0.5438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6938    0.6242    1.3862 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0749   -0.8508    0.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3742    0.5785    0.7604 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5991   -1.1048    0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8410   -1.5827    1.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0343   -0.8548   -1.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1052   -1.5708   -0.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6725   -1.0897   -1.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4791   -1.8174    0.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4040    1.5710   -0.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3093   -0.7591   -0.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8017    0.4555    0.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6685   -0.9539   -0.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5469    0.0980   -0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6802    1.5074    0.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0527    1.3287    0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6165   -1.0719   -0.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4434   -1.5837    1.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6447    0.9214    1.5033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3090   -1.7676    2.0973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6522   -0.4826   -1.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7088    0.0053    2.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3949    0.2563    0.7433 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7444    0.6444    0.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0312   -1.9213   -0.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2310    2.8182   -1.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8199    2.0536    0.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 15  1  0  0  0  0
  5 19  1  0  0  0  0
  6 18  1  0  0  0  0
  6 34  1  0  0  0  0
  7 18  2  0  0  0  0
  8 24  1  0  0  0  0
  8 35  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 18  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
$$$$

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2026-02-02, 549👍, 0💬