Molecule FYI-1014338

A

Molecule Summary:

ID: FYI-1014338
Names:
InChIKey: MMHJXSXOWZFGSK-CMMZZUHUSA-N
SMILES: O=C4C[C@H](NC(=O)[C@@H]3CC[C@@H]2C/C=C\\C[C@H](NC(=O)c1ccccc1)C(=O)N23)C(O)O4

Received at FYIcenter.com on: 2025-04-03

Molecule ID: FYI-1014338 Edit

Molecule Structure InChIKey: MMHJXSXOWZFGSK-CMMZZUHUSA-N

Molecule Structure SMILES String: O=C4C[C@H](NC(=O)[C@@H]3CC[C@@H]2C/C=C\C[C@H](NC(=O)c1ccccc1)C(=O)N23)C(O)O4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014338
FYIcenter.com

 31 34  0  0  1  0  0  0  0  0999 V2000
    7.0956    2.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3080    3.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5204    2.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7328    3.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7328    4.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5204    5.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3080    4.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0956    1.2814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8831    3.3814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6707    2.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8534    1.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6131    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5025    0.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3196    2.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1720    3.3509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5599    3.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9224    4.8860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3790    4.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0367    4.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8463    5.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9372    6.8890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2229    6.0795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6903    7.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0326    7.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0693    9.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7495    9.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8973    8.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3519   11.0061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1432    6.9446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  1  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  1  0  0  0
 17 16  1  0  0  0  0
 17 10  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 15  1  0  0  0  0
 19 22  1  1  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  1  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 25  1  0  0  0  0
 30 28  2  0  0  0  0
 31 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014338-3D
FYIcenter.com

 56 59  0     1  0  0  0  0  0999 V2000
   -0.2309   -0.7177   -0.2873 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5756    1.3296    0.8634 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5517   -2.6080   -0.5446 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9960   -1.0265    0.4412 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2282   -4.1828    0.4674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5415    1.4884    0.0265 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4529    1.4365   -0.7542 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5909   -0.2444   -0.5192 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7446    0.0328    0.1979 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2415    2.8811   -0.9789 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7181    1.0025   -1.3408 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6079    3.3809   -1.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1877    2.1716   -2.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2686    3.7185    0.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4572    0.4965   -0.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6549    0.7256   -0.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    1.0444    0.3649 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1775    3.2556    1.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5042    1.3378    1.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6207   -0.6774    0.3969 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3898    2.2686    2.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1706   -1.8771    1.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8281   -1.2150   -0.3485 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6147   -3.0298    0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0845    0.3484    0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0097   -0.8062   -0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3427   -0.6811    0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5455   -2.0151   -0.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2116   -1.7650    0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4142   -3.0990   -0.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7472   -2.9740   -0.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4792    2.9608   -1.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5622    0.0986   -1.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2574    3.6578   -0.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5175    4.2525   -2.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2751    2.2338   -2.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7491    2.1023   -3.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3627    3.7798    0.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0413    4.7641    0.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0790    1.9202   -0.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0008    3.8035    2.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3011    0.3805    2.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4363    1.7086    2.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8724    0.1635    1.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5332   -0.7095   -1.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0135    2.0886    3.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892   -1.9055    1.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6995   -1.9356    2.1634 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9734   -0.7286   -1.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4525   -0.9350    0.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7578   -1.0697   -0.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7225    0.2511    0.7088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5248   -2.1460   -0.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2494   -1.6680    0.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0552   -4.0384   -1.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4240   -3.8175   -0.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 16  2  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 23  1  0  0  0  0
  4 51  1  0  0  0  0
  5 24  2  0  0  0  0
  6 25  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 20  1  0  0  0  0
  8 45  1  0  0  0  0
  9 17  1  0  0  0  0
  9 25  1  0  0  0  0
  9 50  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 18  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 17  1  0  0  0  0
 17 19  1  0  0  0  0
 17 40  1  0  0  0  0
 18 21  2  0  0  0  0
 18 41  1  0  0  0  0
 19 21  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 44  1  0  0  0  0
 21 46  1  0  0  0  0
 22 24  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 52  1  0  0  0  0
 28 30  2  0  0  0  0
 28 53  1  0  0  0  0
 29 31  2  0  0  0  0
 29 54  1  0  0  0  0
 30 31  1  0  0  0  0
 30 55  1  0  0  0  0
 31 56  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-11, 1074👍, 0💬