Molecule Editor

Molecule ID: FYI-1014101 Edit

Molecule Structure InChIKey: DWEGIWUNDQUEGK-LLVKDONJSA-O

Molecule Structure SMILES String: CN(C)/C(OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)=[N+](C)/C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014101
FYIcenter.com

 23 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    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
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014101-3D
FYIcenter.com

 55 54  0  0  1  0  0  0  0  0999 V2000
    4.1661   -0.3441   -1.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4907   -0.8102    0.1089 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4516    0.2154    1.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9330   -2.0310    0.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2796   -2.2803    1.4228 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0980   -1.6405    1.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6291   -0.8529    0.8023 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069   -2.0451    2.9848 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9356   -1.3137    4.1555 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2258   -1.5229    4.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0877   -1.9564    3.8258 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3936   -1.2116    5.8771 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7237   -1.3627    6.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7040   -0.3671    5.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5997   -1.0169    7.9638 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2380   -2.8095    6.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1740   -1.9627    2.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6707   -2.9085    1.7832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8643   -2.4327    4.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6901   -0.5334    2.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0507   -3.1090   -0.5372 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.9216   -3.2920   -1.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3290   -4.3747   -0.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2122    0.7490   -1.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6089   -0.6533   -1.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1967   -0.7121   -1.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    1.0632    0.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8311   -0.2081    2.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    0.6110    1.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6617   -3.1025    3.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3206   -1.1325    4.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3427    0.6603    5.9552 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8168   -0.5270    4.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6995   -0.4403    6.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1970   -0.0090    8.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5738   -1.0716    8.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9179   -1.7065    8.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3813   -3.1436    5.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5246   -3.5043    6.8337 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2031   -2.9211    6.8833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3572   -3.9405    1.9811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862   -2.6256    0.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7647   -2.9050    1.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6118   -3.4688    4.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9574   -2.3803    4.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6120   -1.8029    5.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3600   -0.1313    1.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3720    0.1595    3.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7866   -0.5151    2.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5825   -2.4646   -1.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3048   -3.4968   -2.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5767   -4.1522   -1.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5687   -4.2562    0.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0585   -5.1283    0.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8267   -4.7203   -1.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 30  1  1  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
M  END
$$$$