Molecule FYI-1010666

Molecule Summary:

ID: FYI-1010666
Names:
InChIKey: XSKYOQPYHBNXTC-UHFFFAOYSA-N
SMILES: CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(NC(=O)C(Cc3ccccc3)NC(=O)C(NC(=O)CNC(=O)C(N)CCC(=O)O)C(C)O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(Cc4c[nH]c5ccccc45)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C

Received at FYIcenter.com on: 2024-07-01

Molecule ID: FYI-1010666 Edit

Molecule Structure InChIKey: XSKYOQPYHBNXTC-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O

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FYI-1010666
FYIcenter.com

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271270  1  0  0  0  0
272271  1  0  0  0  0
273272  2  0  0  0  0
274272  1  0  0  0  0
275269  1  0  0  0  0
129276  1  0  0  0  0
276277  1  0  0  0  0
276278  1  0  0  0  0
276279  1  0  0  0  0
151280  1  0  0  0  0
280281  1  0  0  0  0
280282  1  0  0  0  0
280283  1  0  0  0  0
M  END
$$$$

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FYI-1010666-3D
FYIcenter.com

324325  0  0  1  0  0  0  0  0999 V2000
    2.4088    5.2121    7.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250    4.4774    7.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5849    5.1146    8.8273 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8271    5.0769   10.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9170    4.3592    8.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6479    4.3597    7.6842 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5581    3.4236    7.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7498    2.3921    8.0447 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3415    3.5422    5.9911 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5953    4.9940    5.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4245    5.6937    6.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8157    5.6712    6.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5830    6.3268    7.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9459    6.9731    8.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5685    7.0287    8.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8317    6.3292    7.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6288    2.8192    6.0573 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5379    2.8154    4.9829 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2925    3.3551    3.8979 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8850    2.0485    5.2023 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.9936    2.6738    4.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3309    1.9502    4.4923 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1978    0.5261    4.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4241    0.1706    3.1987 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0103   -0.3354    4.7108 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3462    2.0939    6.6022 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5517    0.9488    7.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3746   -0.1593    6.9274 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0953    1.1677    8.8166 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.5603    0.0254    9.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0145    0.1605   11.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5083    1.4380   11.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9915    1.5021   11.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3890    0.4000   12.5004 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1462    0.4958   13.8627 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3564    1.5216   14.5217 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5413   -0.7446   14.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0102   -1.9179   13.8645 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4750   -3.0835   14.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9954   -4.3109   13.7402 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4644   -5.5040   14.3361 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9455   -6.6563   13.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3734   -7.9172   14.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8289   -9.1338   13.6317 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1065   -9.6896   12.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1007   -9.1541   12.1468 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6944  -10.9832   11.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7539  -11.9808   12.9966 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2634  -13.1983   12.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3166  -14.2540   13.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8474  -15.4922   13.0872 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1750  -15.2966   12.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7280  -16.6001   12.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0703  -16.4584   11.5283 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2252  -16.1329   10.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2709  -15.9432    9.4412 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6314  -16.2186    9.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7898  -15.8509    8.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3404  -14.4307    7.8463 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.1294  -13.4062    8.5820 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7167  -12.9312    9.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7247  -13.2894   10.4222 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6159  -11.8779   10.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6694  -10.6528    9.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5230   -9.5649   10.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5783   -8.3544    9.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4386   -7.2744    9.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4983   -6.0627    8.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3581   -4.9846    9.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4168   -3.7737    8.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2764   -2.6953    9.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3351   -1.4844    8.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1943   -0.4061    9.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2545    0.8065    8.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1160    1.8870    8.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1692    3.1035    7.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0248    4.1907    8.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0840    5.4179    7.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9565    6.4612    8.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1667    6.4681    8.0589 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2776    7.3125    9.0826 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0681    8.3309    9.7699 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7598    9.2585    8.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1536    9.1668   10.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1284    7.6746   10.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5173  -14.2597    6.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5739  -13.8495    5.8829 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4326  -14.6729    5.5825 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5711  -14.6194    4.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7068  -15.5376    3.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2598  -15.0572    3.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8679  -13.1889    3.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5723    1.2059    8.8960 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2550    2.2955    9.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6614    3.2768    9.8364 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8180    2.1676    9.5400 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.4430    3.2637    8.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2994    2.2930   10.9339 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6500    2.2098   11.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5098    2.0646   10.3987 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0255    2.3943   12.7566 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.2938    1.5804   13.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2947    3.8007   13.1102 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.5903    4.4878   14.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6770    3.9424   14.7194 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0127    5.9680   14.3816 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.7682    6.7657   14.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0709    8.2293   15.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5020    9.9906   14.9251 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.9720    7.1384   15.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0122    8.0226   14.5961 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9980    7.0738   16.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1888    6.3355   16.1775 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.3236    4.9706   16.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4182    4.3235   16.9048 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6659    4.2415   15.9289 C   0  0  3  0  0  0  0  0  0  0  0  0
   25.6163    5.1820   15.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8845    4.4995   14.7537 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7840    5.5085   14.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4814    6.7008   14.1108 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8989    5.0333   13.5981 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4300    3.6584   17.0558 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.2602    2.5517   16.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3182    2.0013   15.7733 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0484    1.9597   18.1304 C   0  0  3  0  0  0  0  0  0  0  0  0
   28.0419    2.9137   18.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3910    4.1723   19.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2850    3.8459   20.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2801    4.9785   20.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0554    1.3990   19.0623 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3448    0.9300   20.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4866    0.7476   20.7407 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1542    0.5971   21.3329 C   0  0  3  0  0  0  0  0  0  0  0  0
   23.8061    0.9858   20.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4991    0.2579   19.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4544   -1.1424   19.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9802   -1.8154   18.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5880   -1.0857   17.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1289   -1.6909   16.0175 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6378    0.3021   17.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1566    0.9760   18.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1927   -0.8334   21.7283 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2243   -1.3824   22.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3272   -0.7212   23.0522 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3199   -2.9194   22.8086 C   0  0  3  0  0  0  0  0  0  0  0  0
   24.4816   -3.1014   24.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8084    5.1841    8.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2707    4.4855    6.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5321    3.4292    7.9888 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7806    6.1668    8.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6018    4.0437   10.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8877    5.6383   10.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4232    5.5386   10.9379 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7345    3.3062    9.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2893    5.1169    5.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-07-15, 1401👍, 0💬