Molecule Editor

Molecule ID: FYI-1014984 Edit

Molecule Structure InChIKey: JYPCXBJRLBHWME-IUCAKERBSA-N

Molecule Structure SMILES String: N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014984
FYIcenter.com

 23 23  0  0  1  0  0  0  0  0999 V2000
    9.2686    7.4353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3090    6.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0179    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6865    4.6965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0584    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1910    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4277    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    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
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7 23  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  1  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  6  0  0  0
 15 23  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  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014984-3D
FYIcenter.com

 47 47  0     1  0  0  0  0  0999 V2000
    1.9282    0.7859   -1.5206 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3510   -2.2706    0.2639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6296    3.4283    1.2932 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8092    4.2012   -0.4846 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1564   -0.8232    0.2259 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4696    1.5205    0.1383 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6403   -4.3725   -0.4098 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2347   -0.9072    0.5985 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5790   -2.1996   -0.9157 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9390   -2.2957    1.3329 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4535    0.3342    0.7639 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5575    1.3039    1.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6925    0.9735    0.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5741   -0.5328    0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.8880   -0.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5526   -2.0632    0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5021    2.1577   -0.7209 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6076    1.1974   -1.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4689   -3.1904   -0.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4311    0.6066   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0503    3.3733    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4814   -0.3698   -0.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1847   -1.7457    0.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    0.0281    1.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2626    2.3562    1.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8820    1.0888    2.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6735    1.2758    0.5803 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5277    1.4803   -0.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1402   -1.0681    0.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9056   -0.8686   -0.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    2.5311   -1.6036 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2979    1.5308    1.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1553    0.3764   -1.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2842    1.7244   -1.8526 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2539   -3.3286    0.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9163   -2.9727   -1.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9262    1.4077    0.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7742    0.0855    0.6898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9834   -1.1820   -1.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1529    0.1566   -1.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2119   -5.1661   -0.6967 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2710   -4.6117    0.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9989    4.2049    1.7652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3419   -2.8612   -1.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1283   -1.8966   -1.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6859   -2.9536    1.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7674   -2.0578    2.3038 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 21  1  0  0  0  0
  3 43  1  0  0  0  0
  4 21  2  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  1  0  0  0  0
  6 15  1  0  0  0  0
  6 17  1  0  0  0  0
  6 32  1  0  0  0  0
  7 19  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  2  0  0  0  0
  9 23  1  0  0  0  0
  9 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 23  1  0  0  0  0
 10 46  1  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 22  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END
$$$$