NP-MRD: Showing NP-Card for (4r,7r,10s,13s,17r,19s)-7-[(2-bromo-1h-indol-3-yl)methyl]-6,12,16-trihydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylidene-1-oxa-5,8,11-triazacyclononadeca-5,11-diene-2,9-dione (NP0195415)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-04 13:16:22 UTC

Updated at

2022-09-04 13:16:22 UTC

NP-MRD ID

NP0195415

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(4r,7r,10s,13s,17r,19s)-7-[(2-bromo-1h-indol-3-yl)methyl]-6,12,16-trihydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylidene-1-oxa-5,8,11-triazacyclononadeca-5,11-diene-2,9-dione

Description

Jaspamide C belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Jaspamide C is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. (4r,7r,10s,13s,17r,19s)-7-[(2-bromo-1h-indol-3-yl)methyl]-6,12,16-trihydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylidene-1-oxa-5,8,11-triazacyclononadeca-5,11-diene-2,9-dione is found in Jaspis splendens. Based on a literature review very few articles have been published on jaspamide C.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042215162D          

 48 51  0  0  1  0            999 V2000
    4.6000   -2.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2415   -3.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4210   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2495   -2.4097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4958   -2.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639   -1.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7275   -2.3096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2799   -1.1516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0869   -0.9800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6389   -1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3419   -0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7898    0.4177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1488   -0.0239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7009   -0.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4038    0.7607    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8517    1.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1067    2.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6217    2.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7967    2.8259    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.1067    3.4933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8913    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6058    3.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3202    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3202    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6058    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8913    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2107    0.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4657    1.7169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7628    0.3192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5078   -0.4655    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3148   -0.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5697    0.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3767    0.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9287    0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7357    0.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6738   -0.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8668   -0.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0599   -1.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8049   -1.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3570   -2.4763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9980   -2.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7430   -2.8193    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2950   -3.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9360   -2.9908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6811   -3.7755    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2331   -4.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8741   -3.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6363   -4.7370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  4  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 17 26  1  0  0  0  0
 21 26  1  0  0  0  0
 15 27  1  0  0  0  0
 27 28  1  4  0  0  0
 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  6  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
 31 37  1  0  0  0  0
 30 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  1  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  1  0  0  0
 45 47  1  0  0  0  0
  2 47  1  0  0  0  0
 47 48  1  0  0  0  0
M  END

     RDKit          3D

 93 96  0  0  0  0  0  0  0  0999 V2000
    4.7332   -1.8331   -0.7417 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7517   -1.4963    0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4301   -2.1488   -0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4328   -3.5598    0.3509 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8197   -4.4479   -0.8364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163   -4.0643    1.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4736   -5.2260    1.8072 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0899   -3.6577    0.9780 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8325   -2.7237    0.5079 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0682   -1.5625    1.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6714   -2.4313   -0.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1616   -3.4476   -1.5451 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9527   -1.3047   -1.6768 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3407   -1.2459   -3.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7618   -0.1645   -1.3550 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2407   -0.3284   -1.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9196   -1.4368   -1.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9617   -2.7508   -1.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2362   -3.5590   -3.0286 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6768   -3.4809   -0.5524 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1081   -2.6715    0.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8611   -2.9171    1.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1739   -1.8940    2.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7095   -0.6345    2.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9529   -0.3763    1.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6472   -1.4065    0.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2742    1.0477   -2.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5089    0.9626   -3.4989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7418    2.0015   -1.6366 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2565    2.6878   -0.5464 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1863    3.6919    0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5135    3.3766    0.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3685    4.3037    0.8084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9643    5.5709    1.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8539    6.4960    1.7349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6326    5.8931    0.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7827    4.9585    0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4097    1.8645    0.5498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5399    2.6267    1.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2423    3.4204    2.0988 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8498    2.4697    0.7491 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2229    2.1434   -0.5563 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5293    3.3882   -1.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4329    1.2654   -0.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8280    0.6467    0.6920 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9597    1.6673    1.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9505   -0.4842    1.1053 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4933   -1.0952    2.2612 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6506   -2.5713   -1.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7162   -1.3697   -0.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6974   -1.5010    0.4068 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1867   -2.0731   -1.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3329   -3.6595    1.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1788   -5.3562   -0.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6421   -3.8447   -1.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8956   -4.7014   -0.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0649   -5.9626    1.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8530   -3.2719    0.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8626   -2.0158    2.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3353   -0.7684    1.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1280   -1.2624    1.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3183   -0.3878   -3.1438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1235   -1.2909   -3.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3003   -2.1408   -3.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7433    0.1557   -0.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2391   -0.4165   -2.8249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    0.6483   -1.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8787   -4.5060   -0.5902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2245   -3.9075    1.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7584   -2.0617    3.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9383    0.1806    2.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5969    0.6016    0.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3927    1.2527   -3.8773 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6061    3.3330   -0.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8434    2.3884   -0.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4066    4.0343    0.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3876    7.1415    1.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2850    6.8786    1.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2738    5.2161    0.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7573    0.9274    0.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3296    1.6088    1.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3960    1.5898   -1.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4238    3.1460   -2.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5978    3.6806   -1.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8341    4.2068   -1.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3382    1.8592   -0.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3330    0.4771   -1.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8730    0.2443    0.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8617    1.4796    2.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1040    1.6156    2.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0880    2.6819    1.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9546   -0.0713    1.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6120   -0.3408    2.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
 43 42  1  0
 42 44  1  0
 44 45  1  0
 45 46  1  0
 45 47  1  0
 47 48  1  0
 47  2  1  0
  2  1  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 15 27  1  0
 27 28  1  0
 27 29  2  0
 29 30  1  0
 30 38  1  0
 38 39  1  0
 39 40  2  0
 39 41  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 34 36  1  0
 36 37  2  0
 41 42  1  0
 37 31  1  0
 26 17  1  0
 26 21  1  0
 43 83  1  0
 43 84  1  0
 43 85  1  0
 42 82  1  6
 44 86  1  0
 44 87  1  0
 45 88  1  6
 46 89  1  0
 46 90  1  0
 46 91  1  0
 47 92  1  1
 48 93  1  0
  1 49  1  0
  1 50  1  0
  3 51  1  0
  3 52  1  0
  4 53  1  1
  5 54  1  0
  5 55  1  0
  5 56  1  0
  7 57  1  0
  9 58  1  6
 10 59  1  0
 10 60  1  0
 10 61  1  0
 14 62  1  0
 14 63  1  0
 14 64  1  0
 15 65  1  1
 16 66  1  0
 16 67  1  0
 20 68  1  0
 22 69  1  0
 23 70  1  0
 24 71  1  0
 25 72  1  0
 28 73  1  0
 30 74  1  6
 38 80  1  0
 38 81  1  0
 32 75  1  0
 33 76  1  0
 35 77  1  0
 36 78  1  0
 37 79  1  0
M  END


  Mrv1652309042215162D          

 48 51  0  0  1  0            999 V2000
    4.6000   -2.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2415   -3.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4210   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2495   -2.4097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4958   -2.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639   -1.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7275   -2.3096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2799   -1.1516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0869   -0.9800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6389   -1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3419   -0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7898    0.4177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1488   -0.0239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7009   -0.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4038    0.7607    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8517    1.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1067    2.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6217    2.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7967    2.8259    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.1067    3.4933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8913    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6058    3.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3202    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3202    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6058    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8913    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2107    0.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4657    1.7169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7628    0.3192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5078   -0.4655    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3148   -0.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5697    0.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3767    0.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9287    0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7357    0.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6738   -0.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8668   -0.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0599   -1.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8049   -1.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3570   -2.4763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9980   -2.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7430   -2.8193    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2950   -3.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9360   -2.9908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6811   -3.7755    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2331   -4.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8741   -3.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6363   -4.7370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  4  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 17 26  1  0  0  0  0
 21 26  1  0  0  0  0
 15 27  1  0  0  0  0
 27 28  1  4  0  0  0
 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  6  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
 31 37  1  0  0  0  0
 30 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  1  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  1  0  0  0
 45 47  1  0  0  0  0
  2 47  1  0  0  0  0
 47 48  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0195415

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1C[C@@H](C)C(O)C(=C)C[C@H](C)C(O)=N[C@@H](C)C(=O)N(C)[C@H](CC2=C(Br)NC3=CC=CC=C23)C(O)=N[C@H](CC(=O)O1)C1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C36H45BrN4O7/c1-19-15-21(3)34(45)38-23(5)36(47)41(6)30(17-27-26-9-7-8-10-28(26)39-33(27)37)35(46)40-29(24-11-13-25(42)14-12-24)18-31(43)48-22(4)16-20(2)32(19)44/h7-14,20-23,29-30,32,39,42,44H,1,15-18H2,2-6H3,(H,38,45)(H,40,46)/t20-,21+,22+,23+,29-,30-,32?/m1/s1

> <INCHI_KEY>
BJPMREHPIFRLGM-KALUOVLNSA-N

> <FORMULA>
C36H45BrN4O7

> <MOLECULAR_WEIGHT>
725.681

> <EXACT_MASS>
724.247163

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
93

> <JCHEM_AVERAGE_POLARIZABILITY>
71.4461232078827

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4R,7R,10S,13S,17R,19S)-7-[(2-bromo-1H-indol-3-yl)methyl]-6,12,16-trihydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylidene-1-oxa-5,8,11-triazacyclononadeca-5,11-diene-2,9-dione

> <JCHEM_LOGP>
5.587369479666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
5.409636074598069

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.352283888276717

> <JCHEM_PKA_STRONGEST_BASIC>
2.332405146082421

> <JCHEM_POLAR_SURFACE_AREA>
168.04

> <JCHEM_REFRACTIVITY>
185.43040000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(4R,7R,10S,13S,17R,19S)-7-[(2-bromo-1H-indol-3-yl)methyl]-6,12,16-trihydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylidene-1-oxa-5,8,11-triazacyclononadeca-5,11-diene-2,9-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       8.587  -4.778   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.917  -6.165   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.386  -6.005   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.066  -4.498   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.659  -3.872   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.399  -3.728   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       8.825  -4.311   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0       7.989  -2.150   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       9.496  -1.829   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.526  -2.974   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.971  -0.365   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       8.941   0.780   0.000  0.00  0.00           O+0
HETATM   13  N   UNK     0      11.478  -0.045   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      12.508  -1.189   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      11.954   1.420   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.923   2.564   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.399   4.029   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.494   5.275   0.000  0.00  0.00           C+0
HETATM   19 Br   UNK     0       8.954   5.275   0.000  0.00  0.00          Br+0
HETATM   20  N   UNK     0      11.399   6.521   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      12.864   6.045   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      14.197   6.815   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      15.531   6.045   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      15.531   4.505   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      14.197   3.735   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      12.864   4.505   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      13.460   1.740   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      13.936   3.205   0.000  0.00  0.00           O+0
HETATM   29  N   UNK     0      14.490   0.596   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0      14.015  -0.869   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      15.521  -0.549   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      15.997   0.916   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      17.503   1.236   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      18.534   0.092   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      20.040   0.412   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      18.058  -1.373   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      16.551  -1.693   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      15.045  -2.013   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      14.569  -3.478   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      15.600  -4.622   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      13.063  -3.798   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      12.587  -5.263   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      13.617  -6.407   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      11.081  -5.583   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      10.605  -7.048   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      11.635  -8.192   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       9.098  -7.368   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       8.654  -8.842   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   47                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   27                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   26                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   26                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   17   21                                                  
CONECT   27   15   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31   38                                                  
CONECT   31   30   32   37                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   31                                                       
CONECT   38   30   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45                                                       
CONECT   45   44   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45    2   48                                                  
CONECT   48   47                                                            
MASTER        0    0    0    0    0    0    0    0   48    0  102    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₄₅BrN₄O₇

Average Mass

725.6810 Da

Monoisotopic Mass

724.24716 Da

IUPAC Name

(4R,7R,10S,13S,17R,19S)-7-[(2-bromo-1H-indol-3-yl)methyl]-6,12,16-trihydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylidene-1-oxa-5,8,11-triazacyclononadeca-5,11-diene-2,9-dione

Traditional Name

(4R,7R,10S,13S,17R,19S)-7-[(2-bromo-1H-indol-3-yl)methyl]-6,12,16-trihydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylidene-1-oxa-5,8,11-triazacyclononadeca-5,11-diene-2,9-dione

CAS Registry Number

Not Available

SMILES

C[C@H]1C[C@@H](C)C(O)C(=C)C[C@H](C)C(O)=N[C@@H](C)C(=O)N(C)[C@H](CC2=C(Br)NC3=CC=CC=C23)C(O)=N[C@H](CC(=O)O1)C1=CC=C(O)C=C1

InChI Identifier

InChI=1S/C36H45BrN4O7/c1-19-15-21(3)34(45)38-23(5)36(47)41(6)30(17-27-26-9-7-8-10-28(26)39-33(27)37)35(46)40-29(24-11-13-25(42)14-12-24)18-31(43)48-22(4)16-20(2)32(19)44/h7-14,20-23,29-30,32,39,42,44H,1,15-18H2,2-6H3,(H,38,45)(H,40,46)/t20-,21+,22+,23+,29-,30-,32?/m1/s1

InChI Key

BJPMREHPIFRLGM-KALUOVLNSA-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

Species Name	Source	Reference
Jaspis splendens	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Macrolide
Macrolactam
Alpha-amino acid or derivatives
3-alkylindole
Indole
Indole or derivatives
1-hydroxy-2-unsubstituted benzenoid
Phenol
Aryl bromide
Aryl halide
Monocyclic benzene moiety
Benzenoid
Substituted pyrrole
Heteroaromatic compound
Pyrrole
Tertiary carboxylic acid amide
Carboxamide group
Carboxylic acid ester
Lactam
Secondary alcohol
Secondary carboxylic acid amide
Lactone
Oxacycle
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Organooxygen compound
Organic nitrogen compound
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Organonitrogen compound
Organobromide
Organohalogen compound
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

organobromine compound (CHEBI:66106 )
cyclodepsipeptide (CHEBI:66106 )
macrocycle (CHEBI:66106 )

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	5.59	ChemAxon
pKa (Strongest Acidic)	4.35	ChemAxon
pKa (Strongest Basic)	2.33	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	168.04 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	185.43 m³·mol⁻¹	ChemAxon
Polarizability	71.45 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	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00026974

Chemspider ID

8684509

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10509108

PDB ID

Not Available

ChEBI ID

66106

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (4r,7r,10s,13s,17r,19s)-7-[(2-bromo-1h-indol-3-yl)methyl]-6,12,16-trihydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylidene-1-oxa-5,8,11-triazacyclononadeca-5,11-diene-2,9-dione (NP0195415)

MOL for NP0195415 ((4r,7r,10s,13s,17r,19s)-7-[(2-bromo-1h-indol-3-yl)methyl]-6,12,16-trihydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylidene-1-oxa-5,8,11-triazacyclononadeca-5,11-diene-2,9-dione)

3D MOL for NP0195415 ((4r,7r,10s,13s,17r,19s)-7-[(2-bromo-1h-indol-3-yl)methyl]-6,12,16-trihydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylidene-1-oxa-5,8,11-triazacyclononadeca-5,11-diene-2,9-dione)

3D SDF for NP0195415 ((4r,7r,10s,13s,17r,19s)-7-[(2-bromo-1h-indol-3-yl)methyl]-6,12,16-trihydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylidene-1-oxa-5,8,11-triazacyclononadeca-5,11-diene-2,9-dione)

3D-SDF for NP0195415 ((4r,7r,10s,13s,17r,19s)-7-[(2-bromo-1h-indol-3-yl)methyl]-6,12,16-trihydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylidene-1-oxa-5,8,11-triazacyclononadeca-5,11-diene-2,9-dione)

PDB for NP0195415 ((4r,7r,10s,13s,17r,19s)-7-[(2-bromo-1h-indol-3-yl)methyl]-6,12,16-trihydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylidene-1-oxa-5,8,11-triazacyclononadeca-5,11-diene-2,9-dione)

3D PDB for NP0195415 ((4r,7r,10s,13s,17r,19s)-7-[(2-bromo-1h-indol-3-yl)methyl]-6,12,16-trihydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylidene-1-oxa-5,8,11-triazacyclononadeca-5,11-diene-2,9-dione)

SMILES for NP0195415 ((4r,7r,10s,13s,17r,19s)-7-[(2-bromo-1h-indol-3-yl)methyl]-6,12,16-trihydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylidene-1-oxa-5,8,11-triazacyclononadeca-5,11-diene-2,9-dione)

INCHI for NP0195415 ((4r,7r,10s,13s,17r,19s)-7-[(2-bromo-1h-indol-3-yl)methyl]-6,12,16-trihydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylidene-1-oxa-5,8,11-triazacyclononadeca-5,11-diene-2,9-dione)

Structure for NP0195415 ((4r,7r,10s,13s,17r,19s)-7-[(2-bromo-1h-indol-3-yl)methyl]-6,12,16-trihydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylidene-1-oxa-5,8,11-triazacyclononadeca-5,11-diene-2,9-dione)

3D Structure for NP0195415 ((4r,7r,10s,13s,17r,19s)-7-[(2-bromo-1h-indol-3-yl)methyl]-6,12,16-trihydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylidene-1-oxa-5,8,11-triazacyclononadeca-5,11-diene-2,9-dione)