NP-MRD: Showing NP-Card for 2-({2-[(2-amino-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene)amino]-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene}amino)-3-(1h-indol-3-yl)propanoic acid (NP0330664)

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Record Information

Version

2.0

Created at

2022-09-12 16:13:54 UTC

Updated at

2022-09-12 16:13:54 UTC

NP-MRD ID

NP0330664

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-({2-[(2-amino-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene)amino]-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene}amino)-3-(1h-indol-3-yl)propanoic acid

Description

2-({2-[(2-Amino-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene)amino]-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene}amino)-3-(1H-indol-3-yl)propanoic acid belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. 2-({2-[(2-Amino-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene)amino]-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene}amino)-3-(1H-indol-3-yl)propanoic acid is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004151518172D          

 53 56  0  0  0  0            999 V2000
   10.0307   -6.6943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0307   -5.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3162   -5.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6017   -5.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8872   -5.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1728   -5.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4583   -5.4568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7438   -5.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7438   -6.6943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0294   -5.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3149   -5.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6004   -5.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6004   -4.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3149   -4.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3149   -3.3943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0294   -4.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7438   -4.2193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7451   -5.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7451   -4.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4596   -5.8693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1741   -5.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8885   -5.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6030   -5.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3175   -5.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0319   -5.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7464   -5.8693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4609   -5.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4609   -4.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1754   -5.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8898   -5.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6043   -5.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6043   -6.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8898   -7.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8898   -7.9318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1754   -6.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4609   -7.1068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1741   -4.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8885   -4.2193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4596   -4.2193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4596   -3.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1741   -2.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1741   -2.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5066   -1.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7616   -0.8872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5866   -0.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1386   -0.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9456   -0.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2005   -1.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6485   -1.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8415   -1.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7451   -2.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0307   -3.3943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7451   -2.1568    0.0000 O   0  0  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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 29 35  1  0  0  0  0
 35 36  1  0  0  0  0
 21 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 42 50  1  0  0  0  0
 45 50  1  0  0  0  0
 40 51  1  0  0  0  0
 51 52  2  0  0  0  0
 51 53  1  0  0  0  0
M  END

     RDKit          3D

 97100  0  0  0  0  0  0  0  0999 V2000
    1.8216   -0.2158    2.3135 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7436    0.1153    1.1778 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3225    1.4258    1.5329 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2921    2.0918    0.6651 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6499    1.5660    0.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7673    0.2026   -0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2200   -0.1272   -0.2969 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5223   -1.3745   -0.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5607   -2.1805   -1.1137 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8446   -1.8887   -1.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0274   -3.1609   -1.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2501   -3.6645   -1.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3684   -2.9448   -1.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2372   -1.6556   -1.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3758   -0.9251   -0.7802 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9903   -1.1515   -0.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9086    0.1156   -0.2854 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7972    0.2281    0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3262    0.4057   -1.1107 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4157    0.1486    0.1365 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5801    0.2541   -0.8980 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1815    1.6019   -0.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263    2.1361    0.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9655    1.4126    0.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5230    2.1482    2.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0478    3.4356    1.5958 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6200    4.3973    2.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6556    4.1140    3.6737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1703    5.6616    2.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7738    6.5032    2.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3604    7.6974    2.6696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3582    8.0913    1.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7832    7.3252    0.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8226    7.7942   -0.9578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2076    6.1367    0.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6235    5.3459   -0.2500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4275   -0.9033   -1.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9016   -2.0564   -0.8788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7823   -0.9366   -1.4742 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5368   -2.1583   -1.6568 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9521   -2.7468   -0.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7339   -3.9989   -0.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0955   -4.1746   -0.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4191   -5.4598   -0.4189 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3395   -6.1515   -0.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1927   -7.4731   -1.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9442   -7.9538   -1.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8968   -7.0718   -1.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0631   -5.7326   -1.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2917   -5.2628   -0.8557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6969   -1.9904   -2.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0148   -0.8856   -2.9958 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4961   -3.0761   -2.8157 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3181    0.7056    2.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4009   -0.3306    3.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4262   -0.6912    1.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4976    2.1483    1.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8521    1.2608    2.5399 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8429    2.1794   -0.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3903    3.2062    0.9605 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1940    2.2448   -0.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2716    1.6474    1.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    0.0152   -0.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5299   -0.5460    0.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8851    0.5892   -0.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1480   -3.7619   -1.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4002   -4.6741   -2.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3433   -3.3279   -1.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3870   -0.0157   -0.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6646    0.7010   -0.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0035   -0.0199    1.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0914    0.2629   -1.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9533    1.6698   -1.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4301    2.3878   -1.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0264    2.3647    1.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1703    3.1930    0.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7648    1.3198    0.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6585    0.4167    1.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7633    6.1682    4.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8098    9.0291    1.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6675    5.6007   -1.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2743   -0.0418   -1.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8274   -2.9237   -2.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7606   -3.3648    0.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4000   -5.8357   -0.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0246   -8.1966   -1.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8398   -9.0084   -1.8317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9087   -7.4296   -1.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2251   -5.0671   -1.2801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4850   -2.9982   -3.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
  2 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 35 36  1  0
 21 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  2  0
 40 51  1  0
 51 53  1  0
 51 52  2  0
 16 10  1  0
 35 29  1  0
 50 42  1  0
 50 45  1  0
  1 54  1  0
  1 55  1  0
  2 56  1  6
  3 57  1  0
  3 58  1  0
  4 59  1  0
  4 60  1  0
  5 61  1  0
  5 62  1  0
  6 63  1  0
  6 64  1  0
  7 65  1  0
 11 66  1  0
 12 67  1  0
 13 68  1  0
 15 69  1  0
 17 70  1  0
 20 71  1  0
 21 72  1  6
 22 73  1  0
 22 74  1  0
 23 75  1  0
 23 76  1  0
 24 77  1  0
 24 78  1  0
 25 79  1  0
 25 80  1  0
 26 81  1  0
 30 82  1  0
 31 83  1  0
 32 84  1  0
 34 85  1  0
 36 86  1  0
 39 87  1  0
 40 88  1  6
 41 89  1  0
 41 90  1  0
 43 91  1  0
 44 92  1  0
 46 93  1  0
 47 94  1  0
 48 95  1  0
 49 96  1  0
 53 97  1  0
M  END


  Mrv1533004151518172D          

 53 56  0  0  0  0            999 V2000
   10.0307   -6.6943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0307   -5.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3162   -5.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6017   -5.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8872   -5.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1728   -5.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4583   -5.4568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7438   -5.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7438   -6.6943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0294   -5.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3149   -5.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6004   -5.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6004   -4.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3149   -4.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3149   -3.3943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0294   -4.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7438   -4.2193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7451   -5.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7451   -4.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4596   -5.8693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1741   -5.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8885   -5.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6030   -5.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3175   -5.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0319   -5.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7464   -5.8693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4609   -5.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4609   -4.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1754   -5.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8898   -5.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6043   -5.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6043   -6.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8898   -7.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8898   -7.9318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1754   -6.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4609   -7.1068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1741   -4.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8885   -4.2193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4596   -4.2193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4596   -3.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1741   -2.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1741   -2.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5066   -1.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7616   -0.8872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5866   -0.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1386   -0.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9456   -0.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2005   -1.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6485   -1.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8415   -1.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7451   -2.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0307   -3.3943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7451   -2.1568    0.0000 O   0  0  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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 29 35  1  0  0  0  0
 35 36  1  0  0  0  0
 21 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 42 50  1  0  0  0  0
 45 50  1  0  0  0  0
 40 51  1  0  0  0  0
 51 52  2  0  0  0  0
 51 53  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0330664

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NC(CCCCNC(=O)C1=CC=CC(O)=C1O)C(=O)NC(CCCCNC(=O)C1=CC=CC(O)=C1O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C37H44N6O10/c38-25(12-3-5-17-39-33(48)23-10-7-15-29(44)31(23)46)35(50)42-27(14-4-6-18-40-34(49)24-11-8-16-30(45)32(24)47)36(51)43-28(37(52)53)19-21-20-41-26-13-2-1-9-22(21)26/h1-2,7-11,13,15-16,20,25,27-28,41,44-47H,3-6,12,14,17-19,38H2,(H,39,48)(H,40,49)(H,42,50)(H,43,51)(H,52,53)

> <INCHI_KEY>
IJGBGFAIJGTLKQ-UHFFFAOYSA-N

> <FORMULA>
C37H44N6O10

> <MOLECULAR_WEIGHT>
732.791

> <EXACT_MASS>
732.311891641

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
97

> <JCHEM_AVERAGE_POLARIZABILITY>
77.25151792278774

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(2-{2-amino-6-[(2,3-dihydroxyphenyl)formamido]hexanamido}-6-[(2,3-dihydroxyphenyl)formamido]hexanamido)-3-(1H-indol-3-yl)propanoic acid

> <ALOGPS_LOGP>
0.59

> <JCHEM_LOGP>
1.003296728759227

> <ALOGPS_LOGS>
-4.68

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.767922128843261

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.7306500636118476

> <JCHEM_PKA_STRONGEST_BASIC>
8.736588260470324

> <JCHEM_POLAR_SURFACE_AREA>
276.43

> <JCHEM_REFRACTIVITY>
193.5742

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.53e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(2-{2-amino-6-[(2,3-dihydroxyphenyl)formamido]hexanamido}-6-[(2,3-dihydroxyphenyl)formamido]hexanamido)-3-(1H-indol-3-yl)propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-APR-15         0                                  
HETATM    1  N   UNK     0      18.724 -12.496   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      18.724 -10.956   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      17.390 -10.186   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      16.057 -10.956   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.723 -10.186   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.389 -10.956   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      12.055 -10.186   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      10.722 -10.956   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      10.722 -12.496   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       9.388 -10.186   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.054 -10.956   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.721 -10.186   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.721  -8.646   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.054  -7.876   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       8.054  -6.336   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       9.388  -8.646   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      10.722  -7.876   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      20.058 -10.186   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      20.058  -8.646   0.000  0.00  0.00           O+0
HETATM   20  N   UNK     0      21.391 -10.956   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      22.725 -10.186   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      24.059 -10.956   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      25.392 -10.186   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      26.726 -10.956   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      28.060 -10.186   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0      29.393 -10.956   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0      30.727 -10.186   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      30.727  -8.646   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      32.061 -10.956   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      33.394 -10.186   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      34.728 -10.956   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      34.728 -12.496   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      33.394 -13.266   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      33.394 -14.806   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      32.061 -12.496   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      30.727 -13.266   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      22.725  -8.646   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      24.059  -7.876   0.000  0.00  0.00           O+0
HETATM   39  N   UNK     0      21.391  -7.876   0.000  0.00  0.00           N+0
HETATM   40  C   UNK     0      21.391  -6.336   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      22.725  -5.566   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      22.725  -4.026   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      21.479  -3.121   0.000  0.00  0.00           C+0
HETATM   44  N   UNK     0      21.955  -1.656   0.000  0.00  0.00           N+0
HETATM   45  C   UNK     0      23.495  -1.656   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      24.525  -0.512   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      26.032  -0.832   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      26.508  -2.297   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      25.477  -3.441   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      23.971  -3.121   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      20.058  -5.566   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      18.724  -6.336   0.000  0.00  0.00           O+0
HETATM   53  O   UNK     0      20.058  -4.026   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   18                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   16                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   10   17                                                  
CONECT   17   16                                                            
CONECT   18    2   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   37                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   35                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   29   36                                                  
CONECT   36   35                                                            
CONECT   37   21   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39   41   51                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43   50                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   46   50                                                  
CONECT   46   45   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50                                                       
CONECT   50   49   42   45                                                  
CONECT   51   40   52   53                                                  
CONECT   52   51                                                            
CONECT   53   51                                                            
MASTER        0    0    0    0    0    0    0    0   53    0  112    0
END

View in JSmol

Synonyms

Value	Source
2-({2-[(2-amino-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene)amino]-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene}amino)-3-(1H-indol-3-yl)propanoate	Generator

Chemical Formula

C₃₇H₄₄N₆O₁₀

Average Mass

732.7910 Da

Monoisotopic Mass

732.31189 Da

IUPAC Name

2-(2-{2-amino-6-[(2,3-dihydroxyphenyl)formamido]hexanamido}-6-[(2,3-dihydroxyphenyl)formamido]hexanamido)-3-(1H-indol-3-yl)propanoic acid

Traditional Name

2-(2-{2-amino-6-[(2,3-dihydroxyphenyl)formamido]hexanamido}-6-[(2,3-dihydroxyphenyl)formamido]hexanamido)-3-(1H-indol-3-yl)propanoic acid

CAS Registry Number

Not Available

SMILES

NC(CCCCNC(=O)C1=CC=CC(O)=C1O)C(=O)NC(CCCCNC(=O)C1=CC=CC(O)=C1O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O

InChI Identifier

InChI=1S/C37H44N6O10/c38-25(12-3-5-17-39-33(48)23-10-7-15-29(44)31(23)46)35(50)42-27(14-4-6-18-40-34(49)24-11-8-16-30(45)32(24)47)36(51)43-28(37(52)53)19-21-20-41-26-13-2-1-9-22(21)26/h1-2,7-11,13,15-16,20,25,27-28,41,44-47H,3-6,12,14,17-19,38H2,(H,39,48)(H,40,49)(H,42,50)(H,43,51)(H,52,53)

InChI Key

IJGBGFAIJGTLKQ-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Alpha-amino acid amide
Indolyl carboxylic acid derivative
Salicylamide
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Salicylic acid or derivatives
3-alkylindole
Indole or derivatives
Indole
Benzamide
Benzoic acid or derivatives
Catechol
Benzoyl
Phenol
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Benzenoid
Substituted pyrrole
Fatty amide
N-acyl-amine
Fatty acyl
Monocyclic benzene moiety
Pyrrole
Vinylogous acid
Heteroaromatic compound
Carboxamide group
Secondary carboxylic acid amide
Amino acid
Amino acid or derivatives
Azacycle
Organoheterocyclic compound
Carboxylic acid
Monocarboxylic acid or derivatives
Organooxygen compound
Carbonyl group
Primary amine
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organonitrogen compound
Amine
Primary aliphatic amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	0.59	ALOGPS
logP	1	ChemAxon
logS	-4.7	ALOGPS
pKa (Strongest Acidic)	3.73	ChemAxon
pKa (Strongest Basic)	8.74	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	276.43 Å²	ChemAxon
Rotatable Bond Count	19	ChemAxon
Refractivity	193.57 m³·mol⁻¹	ChemAxon
Polarizability	77.25 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-({2-[(2-amino-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene)amino]-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene}amino)-3-(1h-indol-3-yl)propanoic acid (NP0330664)

MOL for NP0330664 (2-({2-[(2-amino-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene)amino]-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene}amino)-3-(1h-indol-3-yl)propanoic acid)

3D MOL for NP0330664 (2-({2-[(2-amino-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene)amino]-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene}amino)-3-(1h-indol-3-yl)propanoic acid)

3D SDF for NP0330664 (2-({2-[(2-amino-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene)amino]-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene}amino)-3-(1h-indol-3-yl)propanoic acid)

3D-SDF for NP0330664 (2-({2-[(2-amino-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene)amino]-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene}amino)-3-(1h-indol-3-yl)propanoic acid)

PDB for NP0330664 (2-({2-[(2-amino-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene)amino]-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene}amino)-3-(1h-indol-3-yl)propanoic acid)

3D PDB for NP0330664 (2-({2-[(2-amino-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene)amino]-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene}amino)-3-(1h-indol-3-yl)propanoic acid)

SMILES for NP0330664 (2-({2-[(2-amino-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene)amino]-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene}amino)-3-(1h-indol-3-yl)propanoic acid)

INCHI for NP0330664 (2-({2-[(2-amino-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene)amino]-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene}amino)-3-(1h-indol-3-yl)propanoic acid)

Structure for NP0330664 (2-({2-[(2-amino-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene)amino]-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene}amino)-3-(1h-indol-3-yl)propanoic acid)

3D Structure for NP0330664 (2-({2-[(2-amino-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene)amino]-6-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene}amino)-3-(1h-indol-3-yl)propanoic acid)