Molecule FYI-1014263

A

Molecule Summary:

ID: FYI-1014263
Names:
InChIKey: DWAKUCKNKHJVHQ-GDCCIXDYSA-N
SMILES: O=C6C[C@H](NC(=O)[C@@H]3CCCN4C(=O)CC[C@H](NC(=O)c1nccc2ccccc12)C(=O)N34)[C@H](Oc5ccccc5)O6

Received at FYIcenter.com on: 2025-03-18

Molecule ID: FYI-1014263 Edit

Molecule Structure InChIKey: DWAKUCKNKHJVHQ-GDCCIXDYSA-N

Molecule Structure SMILES String: O=C6C[C@H](NC(=O)[C@@H]3CCCN4C(=O)CC[C@H](NC(=O)c1nccc2ccccc12)C(=O)N34)[C@H](Oc5ccccc5)O6

Download SDF Download SVG Structure in 2D SDF:

FYI-1014263
FYIcenter.com

 42 47  0  0  1  0  0  0  0  0999 V2000
    7.6553    6.9210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9932    7.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2018    8.7181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142    9.4181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142   10.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2018   11.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9894   10.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9894    9.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7770    8.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5644    9.4181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7770    7.3181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5644    6.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4181    5.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0486    4.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4793    3.6557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3487    6.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2855    7.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9945    8.5569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629    8.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719   10.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403   10.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    8.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    8.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7174    8.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7437    9.8588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1301    7.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3414    6.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9453    6.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4339    5.0041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0496    4.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1767    5.8901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5380    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1537    3.2837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6421    1.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5150    0.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8995    1.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7724    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1567    0.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6681    1.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7952    2.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4109    2.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  8  9  1  6  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  1  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  1  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25  4  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29  2  1  0  0  0  0
 29 30  1  6  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 42 41  1  0  0  0  0
 42 33  1  0  0  0  0
 42 37  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014263-3D
FYIcenter.com

 71 76  0  0  1  0  0  0  0  0999 V2000
   -1.9954    0.2333   -0.0778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8013    0.2073   -0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1502    1.3414   -0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4804    0.6416   -0.2477 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6451    1.4304   -0.6235 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8031    2.7935   -0.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8800    3.5734   -0.2915 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2368    3.3047   -0.7630 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6180    3.3066   -2.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8958    1.9004   -2.7742 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8714    1.1453   -1.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4841    1.2275   -0.4465 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7554    0.2007    0.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4941   -0.7432    0.1778 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8876    0.1773    1.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1628    1.2004    2.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8118    2.6545    2.4566 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3773    3.0476    2.3537 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2215    2.4954    2.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1477    1.3336    3.3103 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310    3.4967    3.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4235    4.7392    2.6019 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5075    5.7234    2.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7924    5.5630    3.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2026    4.3212    3.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5247    4.2155    4.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0143    3.0186    4.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1817    1.9089    4.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8546    1.9947    4.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2998    3.2167    3.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042    2.9920    1.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8966    3.3008    1.3602 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2053    2.5426    0.0100 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1428   -0.4767   -1.2387 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1726    0.0531   -2.5670 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0478   -0.8215   -3.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7296   -2.1765   -3.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6583   -2.9580   -4.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9001   -2.3888   -5.9234 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -1.0311   -6.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2593   -0.2515   -4.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1658   -0.8793   -0.8527 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0242    1.7450    0.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0220    2.1091   -0.8704 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7214    0.1818    0.7194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5068    0.9069   -0.7228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2776    4.3382   -0.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5316    3.9011   -2.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8318    3.7848   -2.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2868    1.9463   -3.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9489    1.3521   -2.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8961    1.5112   -1.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8631    0.0884   -2.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0077   -0.8248    2.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8460    0.2385    1.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2347    1.1477    3.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6347    0.9056    3.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    3.2896    3.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2175    4.0363    2.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8360    6.6806    2.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4688    6.4125    3.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875    5.0813    4.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0257    2.9595    4.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5682    0.9620    4.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2563    1.0852    4.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8630   -1.2989   -1.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5140   -2.6570   -2.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4073   -4.0136   -4.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8515   -3.0012   -6.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3636   -0.5775   -6.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4775    0.8104   -4.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 42  1  0  0  0  0
  3  4  1  0  0  0  0
  3 43  1  0  0  0  0
  3 44  1  0  0  0  0
  4 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 45  1  1  0  0  0
  5  6  1  0  0  0  0
  5 46  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  8 47  1  1  0  0  0
  9 10  1  0  0  0  0
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
 10 11  1  0  0  0  0
 10 50  1  0  0  0  0
 10 51  1  0  0  0  0
 11 12  1  0  0  0  0
 11 52  1  0  0  0  0
 11 53  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 54  1  0  0  0  0
 15 55  1  0  0  0  0
 16 17  1  0  0  0  0
 16 56  1  0  0  0  0
 16 57  1  0  0  0  0
 17 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 58  1  1  0  0  0
 18 19  1  0  0  0  0
 18 59  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 30  2  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 60  1  0  0  0  0
 24 25  2  0  0  0  0
 24 61  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  1  0  0  0  0
 26 27  2  0  0  0  0
 26 62  1  0  0  0  0
 27 28  1  0  0  0  0
 27 63  1  0  0  0  0
 28 29  2  0  0  0  0
 28 64  1  0  0  0  0
 29 30  1  0  0  0  0
 29 65  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 34 42  1  0  0  0  0
 34 35  1  0  0  0  0
 34 66  1  1  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 41  2  0  0  0  0
 37 38  2  0  0  0  0
 37 67  1  0  0  0  0
 38 39  1  0  0  0  0
 38 68  1  0  0  0  0
 39 40  2  0  0  0  0
 39 69  1  0  0  0  0
 40 41  1  0  0  0  0
 40 70  1  0  0  0  0
 41 71  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-11, 848👍, 0💬