Molecule FYI-1013914

A

Molecule Summary:

ID: FYI-1013914
Names:
InChIKey: KEYRLDAAFVVSAH-PECQEQFCSA-N
SMILES: C[C@@H](OC(=O)[C@]15CCC(C)(C)C=C1[C@H]4CC[C@@H]3[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC5)[C@H](N)C(=O)O

Received at FYIcenter.com on: 2025-02-13

Molecule ID: FYI-1013914 Edit

Molecule Structure InChIKey: KEYRLDAAFVVSAH-PECQEQFCSA-N

Molecule Structure SMILES String: C[C@@H](OC(=O)[C@]15CCC(C)(C)C=C1[C@H]4CC[C@@H]3[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC5)[C@H](N)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013914
FYIcenter.com

 40 44  0  0  1  0  0  0  0  0999 V2000
    8.6860    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8999    2.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8999    4.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6860    4.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4719    4.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6860    6.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8999    5.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1140    6.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1140    7.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5158    7.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8149    8.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8999    8.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6860    7.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4719    8.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4719    9.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2579   10.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0439    9.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8298   10.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0439   11.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8298   11.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6158   12.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4019   11.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1878   12.6165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4019   10.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7009    9.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6158    9.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6158    8.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8298    7.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0439    8.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6934    7.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2579    7.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2190    6.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2579    6.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4719    5.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1140    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3280    2.8037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1140    0.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8999    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3280    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  1  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  1  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  9  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 13  6  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  6  0  0  0
 16 15  1  0  0  0  0
 17 16  1  1  0  0  0
 18 17  1  0  0  0  0
 18 19  1  1  0  0  0
 20 18  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 24  1  0  0  0  0
 27 24  1  0  0  0  0
 27 18  1  0  0  0  0
 27 28  1  1  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30 17  1  0  0  0  0
 30 31  1  1  0  0  0
 32 30  1  0  0  0  0
 32 14  1  0  0  0  0
 32 33  1  6  0  0  0
 34 32  1  0  0  0  0
 35 34  1  0  0  0  0
 35  6  1  0  0  0  0
 36  2  1  0  0  0  0
 36 37  1  6  0  0  0
 38 36  1  0  0  0  0
 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2025-02-16, 1146👍, 0💬