Molecule FYI-1010131

A
Molecule Summary:
ID: FYI-1010131
Names:
InChIKey: KZSKIDBMTSZKLE-RHZRYSSHSA-N
SMILES: C/C=C\\1NC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CCN)NC(=O)C(NC(=O)CC(O)CCCCCCCCCCCCC)COC(=O)C(C(O)CCl)NC(=O)C(C(O)C(=O)O)NC1=O
Received at FYIcenter.com on: 2024-05-29
Molecule ID: FYI-1010131 Edit
Molecule Structure InChIKey: KZSKIDBMTSZKLE-RHZRYSSHSA-N
Molecule Structure SMILES String: C/C=C\1NC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CCN)NC(=O)C(NC(=O)CC(O)CCCCCCCCCCCCC)COC(=O)C(C(O)CCl)NC(=O)C(C(O)C(=O)O)NC1=O
Download SDF Download SVG Structure in 2D SDF:
FYI-1010131
FYIcenter.com

 85 85  0  0  0  0  0  0  0  0999 V2000
   24.6645   32.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4521   31.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4521   30.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2397   29.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2397   28.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0273   27.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0273   25.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8147   25.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8147   23.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6023   23.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6023   21.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3899   21.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3899   19.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1775   18.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1775   17.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9650   16.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7526   17.5635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9650   15.4635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7526   14.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9213   15.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8601   16.8032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6224   17.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1338   18.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2701   17.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8711   17.8721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4954   17.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0827   18.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2122   17.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0858   16.2205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1727   15.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0159   15.9481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5185   13.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152   14.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0066   15.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1561   12.5693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1038   11.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7077   11.0657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3640    9.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9239    8.5116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7552    7.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7289    6.4329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8164    6.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    5.8177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4064    5.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1978    4.0711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8054    5.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1811    5.6633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4642    6.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1642    5.0107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5906    7.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5038    8.1157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1581    9.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4613    8.8420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5204   10.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5727   12.1048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3125   13.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6503   13.8930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9047   10.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7776   11.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1620   11.3830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5429    6.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9078    6.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3205    7.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8600    5.3136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9100    4.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1714    3.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2760    2.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5374    1.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6420    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0277    5.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6351    4.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8465    2.8972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0262    9.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7147    8.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5122   18.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1122   18.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122   17.0520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122   19.4768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2122   19.4768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4787   19.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7820   19.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9906   21.0999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3842   20.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9650   19.6635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 32  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 36  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 42 40  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 46 44  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 49 48  2  0  0  0  0
 50 48  1  0  0  0  0
 51 50  1  0  0  0  0
 52 51  1  0  0  0  0
 53 52  2  0  0  0  0
 54 52  1  0  0  0  0
 55 54  1  0  0  0  0
 56 55  1  0  0  0  0
 56 19  1  0  0  0  0
 57 56  2  0  0  0  0
 58 54  1  0  0  0  0
 59 58  1  0  0  0  0
 60 59  1  0  0  0  0
 61 50  1  0  0  0  0
 62 61  1  0  0  0  0
 63 62  2  0  0  0  0
 64 62  1  0  0  0  0
 65 46  1  0  0  0  0
 66 65  1  0  0  0  0
 67 66  1  0  0  0  0
 68 67  1  0  0  0  0
 69 68  1  0  0  0  0
 70 42  1  0  0  0  0
 71 70  1  0  0  0  0
 72 71  1  0  0  0  0
 73 38  1  0  0  0  0
 74 73  1  0  0  0  0
 75 73  1  0  0  0  0
 76 28  1  0  0  0  0
 77 76  1  0  0  0  0
 78 77  2  0  0  0  0
 79 77  1  0  0  0  0
 80 76  1  0  0  0  0
 81 24  1  0  0  0  0
 82 81  1  0  0  0  0
 83 82  1  0  0  0  0
 84 81  1  0  0  0  0
 85 14  1  0  0  0  0
M  END
$$$$
Molecule Structure in 3D: Not available
✍: FYIcenter.com
2024-06-03, 1735👍, 0💬