Molecule FYI-1004899

A

Molecule Summary:

ID: FYI-1004899
Names:
InChIKey: NHCCHNPZLLLDLN-IXNCHRMXSA-N
SMILES: COC(=O)[C@]15CC[C@@H](C)[C@H](C)[C@H]1C4=CC[C@@H]3[C@@]2(C)CC[C@H](OC(=O)[C@@H](N)CO)C(C)(C)C2CC[C@@]3(C)[C@]4(C)CC5

Received at FYIcenter.com on: 2023-09-27

Molecule ID: FYI-1004899 Edit

Molecule Structure InChIKey: NHCCHNPZLLLDLN-IXNCHRMXSA-N

Molecule Structure SMILES String: COC(=O)[C@]15CC[C@@H](C)[C@H](C)[C@H]1C4=CC[C@@H]3[C@@]2(C)CC[C@H](OC(=O)[C@@H](N)CO)C(C)(C)C2CC[C@@]3(C)[C@]4(C)CC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004899
FYIcenter.com

 40 44  0  0  1  0  0  0  0  0999 V2000
   14.4327   13.8879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2300   13.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2300   11.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4327   11.1103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0272   11.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8245   11.8047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0272    9.7215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8245    9.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6218    9.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4190    9.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4190    7.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2163    8.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2163    6.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0136    7.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8109    6.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8109    5.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    4.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4054    5.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4054    6.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2027    4.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2027    3.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4054    2.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    3.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8109    2.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0136    3.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0136    4.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4576    4.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2163    5.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9707    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4190    4.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6218    5.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6218    6.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8245    7.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5189    6.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2133    7.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    2.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8109    1.3888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4054    1.3888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4054    0.0000    0.0000 C   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
  3  4  1  6  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  6  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  6  0  0  0
 13 11  1  0  0  0  0
 13 14  1  6  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  1  0  0  0
 18 17  1  0  0  0  0
 18 19  1  6  0  0  0
 20 18  1  0  0  0  0
 20 21  1  1  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 17  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 16  1  0  0  0  0
 27 28  1  1  0  0  0
 29 27  1  0  0  0  0
 29 13  1  0  0  0  0
 29 30  1  6  0  0  0
 31 29  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 33 11  1  0  0  0  0
 34 33  1  0  0  0  0
 34  8  1  0  0  0  0
 35 34  1  0  0  0  0
 36 34  1  0  0  0  0
 24 37  1  6  0  0  0
 38 37  2  0  0  0  0
 39 37  1  0  0  0  0
 40 39  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-10-11, 1123👍, 0💬