NP-MRD: Showing NP-Card for 3-[(4-hydroxyphenyl)methyl]-18-isopropyl-9,12,15-tris(2-methylpropyl)-6-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol (NP0265662)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-08 09:43:11 UTC

Updated at

2022-09-08 09:43:11 UTC

NP-MRD ID

NP0265662

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-[(4-hydroxyphenyl)methyl]-18-isopropyl-9,12,15-tris(2-methylpropyl)-6-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol

Description

3-(Butan-2-yl)-18-[(4-hydroxyphenyl)methyl]-6,9,12-tris(2-methylpropyl)-15-(propan-2-yl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol 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. 3-[(4-hydroxyphenyl)methyl]-18-isopropyl-9,12,15-tris(2-methylpropyl)-6-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol is found in Thermoactinomyces vulgaris. Based on a literature review very few articles have been published on 3-(butan-2-yl)-18-[(4-hydroxyphenyl)methyl]-6,9,12-tris(2-methylpropyl)-15-(propan-2-yl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082211432D          

 51 52  0  0  0  0            999 V2000
    5.7158    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    9.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    7.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    7.0125    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
  3  5  1  0  0  0  0
  6  5  1  4  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14  9  1  4  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  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
 19 21  1  0  0  0  0
 22 17  1  4  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 30 25  1  4  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 37 33  1  4  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 38 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  2  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 47 48  2  0  0  0  0
 42 48  1  0  0  0  0
 49 40  1  4  0  0  0
 49 50  2  0  0  0  0
  5 50  1  0  0  0  0
 50 51  1  0  0  0  0
M  END

     RDKit          3D

113114  0  0  0  0  0  0  0  0999 V2000
    2.9193    2.1484   -3.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1683    3.0703   -2.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7884    3.3969   -1.0236 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1431    4.0285   -1.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7051    2.3333    0.0523 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4622    1.9633    0.4517 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3766    1.6528    0.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1404    0.6177    1.7438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9432    2.2352    0.3269 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8364    3.7228    0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311    4.4980    1.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3494    5.9976    1.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3615    4.3586    2.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0253    1.8173    1.1111 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1121    1.2504    1.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8597    1.0660    2.1816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6825    0.7482   -0.2432 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2689    1.8040   -1.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3894    2.6110   -0.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1515    3.4565    0.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6876    1.8358   -0.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8234   -0.0389   -1.0492 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1734   -1.0471   -1.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4618   -1.2900   -2.3270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9635   -2.1141   -0.1044 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2866   -2.3522    0.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3841   -2.7694   -0.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6352   -2.9717    0.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0753   -4.1251   -0.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6067   -3.3594   -0.6545 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5986   -4.0463   -0.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8154   -5.2982   -1.4783 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7886   -3.6614   -0.4680 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6964   -4.7722   -0.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5554   -4.8868   -2.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2421   -6.0461   -0.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1040   -2.3945   -0.9106 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7756   -1.3905   -0.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5555   -0.3468   -1.6986 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7912   -1.0173    0.2723 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7042   -2.2468    0.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7661   -1.9636    1.4443 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6523   -2.1932    2.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6983   -1.8981    3.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8800   -1.3635    3.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9073   -1.0805    4.1189 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9970   -1.1331    1.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9513   -1.4296    0.9863 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6389    0.0415   -0.0594 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7097    1.2510   -0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9803    1.7622   -0.5830 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4253    1.3152   -2.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1772    1.7016   -3.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493    2.6945   -3.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0420    4.0432   -2.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0992    2.7116   -2.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1811    4.2558   -0.5377 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7566    3.5704   -1.9825 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0115    5.1049   -1.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6813    4.0214   -0.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1826    2.9013    0.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0901    0.8369    2.6957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1242    1.8272   -0.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8269    4.1358   -0.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1569    3.9828   -0.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5825    4.2369    1.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3271    6.4768    1.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0818    6.0538   -0.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3902    6.4890    1.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6873    5.3633    2.9215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2986    3.8715    2.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8973    3.7601    3.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4759    0.3913    2.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6153    0.1047   -0.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3931    2.4894   -1.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4800    1.3622   -2.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6540    3.3502   -1.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5935    2.9721    1.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5955    4.4773    0.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0663    3.5455    0.6817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9850    1.3850   -1.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6533    1.1548    0.3394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4591    2.6069   -0.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8748   -2.0051   -2.9234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2158   -1.8399    0.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0731   -3.2272    1.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5809   -1.5478    1.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5319   -2.0121   -1.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4059   -3.7017    1.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3915   -3.4523   -0.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0083   -2.0040    0.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6181   -3.9742   -1.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4761   -4.7600   -0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0419   -4.6851   -1.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5431   -5.4235   -2.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8559   -3.7385    0.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7473   -4.6447   -0.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4817   -4.5009   -3.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4940   -5.9502   -2.8125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7395   -4.2628   -2.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0787   -6.4910    0.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9627   -6.7675   -1.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4246   -5.8744    0.4229 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7277    0.1933   -1.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2736   -0.8610    1.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1225   -2.4825   -0.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1185   -3.0851    0.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7310   -2.6102    3.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6045   -2.0785    4.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6010   -1.7775    4.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9328   -0.7083    1.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0879   -1.2306   -0.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7212    1.8785    0.0878 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
  3  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
  9 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 17 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 25 30  1  0
 30 31  2  0
 31 32  1  0
 31 33  1  0
 33 37  1  0
 37 38  2  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 45 47  1  0
 47 48  2  0
 40 49  1  0
 49 50  2  0
 50 51  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 50  5  1  0
 48 42  1  0
  1 52  1  0
  1 53  1  0
  1 54  1  0
  2 55  1  0
  2 56  1  0
  3 57  1  1
  4 58  1  0
  4 59  1  0
  4 60  1  0
  5 61  1  1
  8 62  1  0
  9 63  1  6
 10 64  1  0
 10 65  1  0
 11 66  1  0
 12 67  1  0
 12 68  1  0
 12 69  1  0
 13 70  1  0
 13 71  1  0
 13 72  1  0
 16 73  1  0
 17 74  1  1
 18 75  1  0
 18 76  1  0
 19 77  1  0
 20 78  1  0
 20 79  1  0
 20 80  1  0
 21 81  1  0
 21 82  1  0
 21 83  1  0
 24 84  1  0
 25 85  1  1
 26 86  1  0
 26 87  1  0
 27 88  1  0
 28 89  1  0
 28 90  1  0
 28 91  1  0
 29 92  1  0
 29 93  1  0
 29 94  1  0
 32 95  1  0
 33 96  1  1
 39104  1  0
 40105  1  1
 41106  1  0
 41107  1  0
 43108  1  0
 44109  1  0
 46110  1  0
 47111  1  0
 48112  1  0
 51113  1  0
 34 97  1  0
 35 98  1  0
 35 99  1  0
 35100  1  0
 36101  1  0
 36102  1  0
 36103  1  0
M  END


  Mrv1652309082211432D          

 51 52  0  0  0  0            999 V2000
    5.7158    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    9.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    7.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    7.0125    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
  3  5  1  0  0  0  0
  6  5  1  4  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14  9  1  4  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  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
 19 21  1  0  0  0  0
 22 17  1  4  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 30 25  1  4  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 37 33  1  4  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 38 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  2  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 47 48  2  0  0  0  0
 42 48  1  0  0  0  0
 49 40  1  4  0  0  0
 49 50  2  0  0  0  0
  5 50  1  0  0  0  0
 50 51  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0265662

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)C1N=C(O)C(CC(C)C)N=C(O)C(CC(C)C)N=C(O)C(CC(C)C)N=C(O)C(N=C(O)C(CC2=CC=C(O)C=C2)N=C1O)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C38H62N6O7/c1-11-24(10)32-38(51)42-30(19-25-12-14-26(45)15-13-25)36(49)43-31(23(8)9)37(50)41-28(17-21(4)5)34(47)39-27(16-20(2)3)33(46)40-29(18-22(6)7)35(48)44-32/h12-15,20-24,27-32,45H,11,16-19H2,1-10H3,(H,39,47)(H,40,46)(H,41,50)(H,42,51)(H,43,49)(H,44,48)

> <INCHI_KEY>
UIQRJAVAEKADLA-UHFFFAOYSA-N

> <FORMULA>
C38H62N6O7

> <MOLECULAR_WEIGHT>
714.949

> <EXACT_MASS>
714.46799836

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
113

> <JCHEM_AVERAGE_POLARIZABILITY>
80.63790958204913

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(butan-2-yl)-18-[(4-hydroxyphenyl)methyl]-6,9,12-tris(2-methylpropyl)-15-(propan-2-yl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol

> <JCHEM_LOGP>
6.7623318559906

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
2.535240025164462

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.9957624999621517

> <JCHEM_PKA_STRONGEST_BASIC>
9.918763668764395

> <JCHEM_POLAR_SURFACE_AREA>
215.77

> <JCHEM_REFRACTIVITY>
197.1275

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-[(4-hydroxyphenyl)methyl]-18-isopropyl-9,12,15-tris(2-methylpropyl)-6-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      10.669  18.480   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336  17.710   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.336  16.170   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.669  15.400   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.002  15.400   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       6.668  16.170   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       6.668  17.710   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       8.002  18.480   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       5.335  18.480   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.335  20.020   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.668  20.790   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668  22.330   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.002  20.020   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       4.001  17.710   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       2.667  18.480   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       2.667  20.020   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       1.334  17.710   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.000  18.480   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.000  20.020   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.334  20.790   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.334  20.790   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0       1.334  16.170   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       0.000  15.400   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -1.334  16.170   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       0.000  13.860   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.334  13.090   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.667  13.860   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.001  13.090   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.667  15.400   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0       1.334  13.090   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0       1.334  11.550   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       0.000  10.780   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       2.667  10.780   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       4.001   8.470   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       1.334   8.470   0.000  0.00  0.00           C+0
HETATM   37  N   UNK     0       4.001  11.550   0.000  0.00  0.00           N+0
HETATM   38  C   UNK     0       5.335  10.780   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       5.335   9.240   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       6.668  11.550   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       8.002  10.780   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       8.002   9.240   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       9.336   8.470   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       9.336   6.930   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       8.002   6.160   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       8.002   4.620   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0       6.668   6.930   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       6.668   8.470   0.000  0.00  0.00           C+0
HETATM   49  N   UNK     0       6.668  13.090   0.000  0.00  0.00           N+0
HETATM   50  C   UNK     0       8.002  13.860   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0       9.336  13.090   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   50                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14    9   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   17   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   30                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   25   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   37                                                  
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   33   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   49                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43   48                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   48                                                       
CONECT   48   47   42                                                       
CONECT   49   40   50                                                       
CONECT   50   49    5   51                                                  
CONECT   51   50                                                            
MASTER        0    0    0    0    0    0    0    0   51    0  104    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₈H₆₂N₆O₇

Average Mass

714.9490 Da

Monoisotopic Mass

714.46800 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCC(C)C1N=C(O)C(CC(C)C)N=C(O)C(CC(C)C)N=C(O)C(CC(C)C)N=C(O)C(N=C(O)C(CC2=CC=C(O)C=C2)N=C1O)C(C)C

InChI Identifier

InChI=1S/C38H62N6O7/c1-11-24(10)32-38(51)42-30(19-25-12-14-26(45)15-13-25)36(49)43-31(23(8)9)37(50)41-28(17-21(4)5)34(47)39-27(16-20(2)3)33(46)40-29(18-22(6)7)35(48)44-32/h12-15,20-24,27-32,45H,11,16-19H2,1-10H3,(H,39,47)(H,40,46)(H,41,50)(H,42,51)(H,43,49)(H,44,48)

InChI Key

UIQRJAVAEKADLA-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

Species Name	Source	Reference
Thermoactinomyces vulgaris	LOTUS Database	35616633

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
Cyclic alpha peptide
Macrolactam
Alpha-amino acid or derivatives
1-hydroxy-2-unsubstituted benzenoid
Phenol
Benzenoid
Monocyclic benzene moiety
Secondary carboxylic acid amide
Lactam
Carboxamide group
Azacycle
Organoheterocyclic compound
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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

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

162815793

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-[(4-hydroxyphenyl)methyl]-18-isopropyl-9,12,15-tris(2-methylpropyl)-6-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol (NP0265662)

MOL for NP0265662 (3-[(4-hydroxyphenyl)methyl]-18-isopropyl-9,12,15-tris(2-methylpropyl)-6-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol)

3D MOL for NP0265662 (3-[(4-hydroxyphenyl)methyl]-18-isopropyl-9,12,15-tris(2-methylpropyl)-6-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol)

3D SDF for NP0265662 (3-[(4-hydroxyphenyl)methyl]-18-isopropyl-9,12,15-tris(2-methylpropyl)-6-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol)

3D-SDF for NP0265662 (3-[(4-hydroxyphenyl)methyl]-18-isopropyl-9,12,15-tris(2-methylpropyl)-6-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol)

PDB for NP0265662 (3-[(4-hydroxyphenyl)methyl]-18-isopropyl-9,12,15-tris(2-methylpropyl)-6-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol)

3D PDB for NP0265662 (3-[(4-hydroxyphenyl)methyl]-18-isopropyl-9,12,15-tris(2-methylpropyl)-6-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol)

SMILES for NP0265662 (3-[(4-hydroxyphenyl)methyl]-18-isopropyl-9,12,15-tris(2-methylpropyl)-6-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol)

INCHI for NP0265662 (3-[(4-hydroxyphenyl)methyl]-18-isopropyl-9,12,15-tris(2-methylpropyl)-6-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol)

Structure for NP0265662 (3-[(4-hydroxyphenyl)methyl]-18-isopropyl-9,12,15-tris(2-methylpropyl)-6-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol)

3D Structure for NP0265662 (3-[(4-hydroxyphenyl)methyl]-18-isopropyl-9,12,15-tris(2-methylpropyl)-6-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol)