Molecule Editor

Molecule ID: FYI-1016563 Edit
Molecule Structure InChIKey: LOARKAFYKIPGMR-BEWOERHVSA-K
Molecule Structure SMILES String: CC[C@H](C)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C)O)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]
Download SDF Download SVG Structure in 2D SDF:
FYI-1016563
FYIcenter.com

 56 57  0  0  0  0  0  0  0  0999 V2000
    0.5358    2.8068    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0603    0.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9327    2.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8431    3.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3766    5.0761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2186    3.5004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1278    4.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6613    5.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2852    6.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8189    7.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1770    1.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3481    1.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2413    4.8317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7583    5.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6466    5.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3538    5.6824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8282    3.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7159    2.9061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1212    3.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3032    1.8322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1826    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0009    1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7079    2.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5965    1.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5259    3.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2328    4.0720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6372    4.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4557    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9302    3.8502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0415    4.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8598    6.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9712    6.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2643    6.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3346    4.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5164    2.7764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7897    8.3293    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   21.4462    5.0163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.7393    4.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9210    3.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8097    2.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9915    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2846    0.3148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   25.1439    4.7945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8801    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   23.6688    6.7193    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  0  0  0  0
 21 17  1  0  0  0  0
 21 22  1  6  0  0  0
 22 23  2  0  0  0  0
 25 24  1  6  0  0  0
 25 26  1  0  0  0  0
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 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
 33 32  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 40 39  1  0  0  0  0
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 48 49  1  6  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 55  1  0  0  0  0
 51 52  2  0  0  0  0
 48 53  1  0  0  0  0
 53 56  1  0  0  0  0
 53 54  2  0  0  0  0
 22 28  1  0  0  0  0
 37 39  1  0  0  0  0
 29 36  1  0  0  0  0
 44 47  1  0  0  0  0
 14 17  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
$$$$
Molecule Structure in 3D: Not available