Molecule FYI-1015549

A
Molecule Summary:
ID: FYI-1015549
Names:
InChIKey: WJWFVKFQSWXOTD-HWYRWKIHSA-N
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NC(CCCCN)C(=O)O)C(C)C)[C@@H](C)O)C(C)C
Received at FYIcenter.com on: 2025-09-08
Molecule ID: FYI-1015549 Edit
Molecule Structure InChIKey: WJWFVKFQSWXOTD-HWYRWKIHSA-N
Molecule Structure SMILES String: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NC(CCCCN)C(=O)O)C(C)C)[C@@H](C)O)C(C)C
Download SDF Download SVG Structure in 2D SDF:
FYI-1015549
FYIcenter.com

 97 98  0  0  1  0  0  0  0  0999 V2000
    0.0000   19.9484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   18.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   17.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   18.5484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   16.4484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451   15.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7311    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124   14.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124   14.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798   15.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6766   16.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7170   15.1213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9676   17.4274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2991   17.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3063    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5902   19.2295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5498   20.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8408   21.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8004   22.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1723   21.9683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3395   16.9234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6710   17.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0485   15.5539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0888   14.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5187    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4203   15.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.5809    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7113   16.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0428   16.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4607   14.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7977   13.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4662   12.8151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8381   12.3109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5471   10.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3684    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2156   10.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9245    9.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9649    8.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5930    8.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   10.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9190   10.4374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2964    8.6354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3368    7.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1560    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0458    6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7143    5.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6739    6.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4232    4.5271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6683    8.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9594    9.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7086    7.1944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0401    7.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9435    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3312    8.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6627    9.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2909    9.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0805    6.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7895    5.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4120    7.1229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5446    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7311    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6773    7.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2446    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8446    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5446    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3322    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7571    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.9695    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5187    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9695    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1820    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1820    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1820    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3944    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6068    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3063    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6068    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0939    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3944    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8193    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8193    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8193    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0317    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.2441    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0939    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2441    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4566    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0317    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4566    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4566    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.6690    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8815    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8815    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8815    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0939    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0939    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3063    0.0000    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7 25  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  6  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  1  0  0  0
 15 25  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 14  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  1  0  0  0
 25 69  1  0  0  0  0
 26 24  1  0  0  0  0
 27 35  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 26 30  1  6  0  0  0
 31 24  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
 34 33  1  6  0  0  0
 35 44  1  0  0  0  0
 36 34  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 37  1  0  0  0  0
 40 34  1  0  0  0  0
 41 40  2  0  0  0  0
 42 40  1  0  0  0  0
 43 42  1  6  0  0  0
 44 53  1  0  0  0  0
 45 43  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  2  0  0  0  0
 48 46  1  0  0  0  0
 49 43  1  0  0  0  0
 50 49  2  0  0  0  0
 51 49  1  0  0  0  0
 52 51  1  1  0  0  0
 53 61  1  0  0  0  0
 54 52  1  0  0  0  0
 55 54  1  0  0  0  0
 56 54  1  0  0  0  0
 57 52  1  0  0  0  0
 58 57  2  0  0  0  0
 59 57  1  0  0  0  0
 60 59  1  0  0  0  0
 61 69  1  0  0  0  0
 62 60  1  0  0  0  0
 63 62  1  0  0  0  0
 64 63  1  0  0  0  0
 64 59  1  0  0  0  0
 60 65  1  1  0  0  0
 66 65  2  0  0  0  0
 67 65  1  0  0  0  0
 68 67  1  1  0  0  0
 69 76  1  0  0  0  0
 70 68  1  0  0  0  0
 71 70  1  0  0  0  0
 72 68  1  0  0  0  0
 73 72  2  0  0  0  0
 74 72  1  0  0  0  0
 75 74  1  6  0  0  0
 76 85  1  0  0  0  0
 77 75  1  0  0  0  0
 78 85  2  0  0  0  0
 77 79  1  1  0  0  0
 80 77  1  0  0  0  0
 81 75  1  0  0  0  0
 82 81  2  0  0  0  0
 83 81  1  0  0  0  0
 84 83  1  1  0  0  0
 85 92  1  0  0  0  0
 86 84  1  0  0  0  0
 87 86  1  0  0  0  0
 88 86  1  0  0  0  0
 89 84  1  0  0  0  0
 90 89  2  0  0  0  0
 91 89  1  0  0  0  0
 92 91  1  6  0  0  0
 93 96  1  0  0  0  0
 94 92  1  0  0  0  0
 95 94  1  0  0  0  0
 96 95  1  0  0  0  0
 97 96  2  0  0  0  0
M  END
$$$$
Molecule Structure in 3D: Not available
✍: FYIcenter.com
2025-09-24, 766👍, 0💬