NP-MRD: Showing NP-Card for 4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-2-phenylethylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-6-methylheptanoic acid (NP0275703)

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Record Information

Version

1.0

Created at

2022-09-08 23:31:51 UTC

Updated at

2022-09-08 23:31:51 UTC

NP-MRD ID

NP0275703

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-2-phenylethylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-6-methylheptanoic acid

Description

4-({2-[(1,3-Dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-2-phenylethylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-6-methylheptanoic acid belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. 4-({2-[(1,3-Dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-2-phenylethylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-6-methylheptanoic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171518302D          

 51 51  0  0  0  0            999 V2000
   12.1460   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -2.4750    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
  2  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  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  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
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  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  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  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
 29 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 37 42  1  0  0  0  0
 25 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
  5 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
M  END

     RDKit          3D

112112  0  0  0  0  0  0  0  0999 V2000
  -10.3085    2.9068    0.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9979    1.8739    1.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7478    2.6656    2.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8621    1.0642    2.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0735    0.3957    1.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6382    0.1199    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6804    0.0941    1.2685 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0197   -0.5267    0.1736 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7300   -1.2006    0.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4567   -1.6824    1.5061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8531   -1.2882   -0.7605 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6069   -2.0419   -0.6493 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4118   -1.2067   -0.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5728   -0.0249   -1.2449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1051   -1.6667   -0.5606 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1564   -1.0514   -0.6723 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2782   -1.9926   -0.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8540   -2.9229    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9886   -3.9269    0.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0856   -2.5767    0.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5199   -0.1021    0.4872 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6693   -0.7868    1.6733 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7227    0.6984    0.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0638    1.7170    1.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1554    1.9218    2.0959 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3211    2.2617    1.1613 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5913    2.8219    1.0889 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2243    2.4669    2.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4836    2.0725    0.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0478    1.4482   -0.8697 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8664    2.0778    0.4226 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7939    1.3169   -0.4609 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9337    2.1166   -0.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9818    1.5524   -1.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9932    2.7188   -1.9149 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8005    0.4344   -1.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0018   -0.0113    0.2081 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7117   -0.5950    0.2776 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4217    0.1441    1.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5919   -1.2242    2.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8275   -1.7178    3.1201 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6988   -2.0142    1.8860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7653   -3.1104   -1.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931   -4.0981   -1.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0222   -3.8913   -1.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9374    0.3685   -1.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3340   -0.0913   -2.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2412    0.7475   -3.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500    2.0122   -3.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3522    2.4680   -1.9701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4461    1.6501   -0.8842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9583    3.7447    1.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0741    3.1894   -0.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4315    2.4052    0.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6721    1.2385    0.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6536    2.1335    2.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0467    2.7802    3.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9628    3.7093    2.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2815    1.7082    2.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3419    0.2681    2.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2877    0.3380    2.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7550   -1.3885   -0.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1105   -0.8289   -1.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6304   -2.5750    0.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1010   -2.6964   -0.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1295   -0.3010   -1.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1541   -1.3183   -1.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0835   -2.5347   -1.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3675   -3.7143   -0.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5797   -4.7076    0.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6163   -4.4648    1.5039 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1609   -3.4000    1.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4481   -1.5857    0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9259   -3.2862    0.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0189   -2.7699    1.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3227    0.6623    0.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2059   -0.9027    2.0879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6304    0.1798   -0.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5356    1.3952   -0.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0342    3.0051    2.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6904    3.8836    1.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    1.3907    2.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3644    2.8129    3.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0419    3.1101    2.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2300    2.5926    1.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1558    1.0620   -1.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4754    2.5983    0.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5405    3.0389   -1.4044 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6517    1.2832   -2.7637 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6994    3.3066   -2.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0164    3.3349   -1.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0141    2.3400   -2.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8861    0.5757   -1.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5247   -0.5117   -1.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7721    0.3808   -0.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6401   -0.7059   -0.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6434   -1.2019    1.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2939    0.7506    1.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5748    0.5896    2.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5727   -2.8464    1.3161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0582   -2.6749   -2.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3574   -4.4548   -0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8105   -3.7026   -2.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0413   -5.0726   -2.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9612   -3.9858   -0.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9867   -4.8252   -1.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8702   -3.2656   -1.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
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 47108  1  0
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 45106  1  0
 45107  1  0
 37 96  1  6
 38 97  1  0
 39 98  1  0
 39 99  1  0
 42100  1  0
M  END


  Mrv1533004171518302D          

 51 51  0  0  0  0            999 V2000
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   11.4315   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7171   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -2.4750    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
  2  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  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  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
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  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  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  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
 29 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 37 42  1  0  0  0  0
 25 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
  5 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0275703

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)CC(NC(=O)C(C)NC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C1=CC=CC=C1)C(C)C)C(O)CC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C37H61N5O9/c1-20(2)15-26(28(43)18-31(46)38-24(9)35(49)39-27(16-21(3)4)29(44)19-32(47)48)40-36(50)33(23(7)8)42-37(51)34(25-13-11-10-12-14-25)41-30(45)17-22(5)6/h10-14,20-24,26-29,33-34,43-44H,15-19H2,1-9H3,(H,38,46)(H,39,49)(H,40,50)(H,41,45)(H,42,51)(H,47,48)

> <INCHI_KEY>
MRXGDZORFRGURD-UHFFFAOYSA-N

> <FORMULA>
C37H61N5O9

> <MOLECULAR_WEIGHT>
719.921

> <EXACT_MASS>
719.446928564

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
112

> <JCHEM_AVERAGE_POLARIZABILITY>
78.56486317026778

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-hydroxy-4-[2-(3-hydroxy-6-methyl-4-{3-methyl-2-[2-(3-methylbutanamido)-2-phenylacetamido]butanamido}heptanamido)propanamido]-6-methylheptanoic acid

> <ALOGPS_LOGP>
1.66

> <JCHEM_LOGP>
2.1985407573333333

> <ALOGPS_LOGS>
-4.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.003021288545108

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.315684426589425

> <JCHEM_PKA_STRONGEST_BASIC>
-3.079556778213645

> <JCHEM_POLAR_SURFACE_AREA>
223.25999999999996

> <JCHEM_REFRACTIVITY>
190.2876

> <JCHEM_ROTATABLE_BOND_COUNT>
22

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.85e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-hydroxy-4-[2-(3-hydroxy-6-methyl-4-{3-methyl-2-[2-(3-methylbutanamido)-2-phenylacetamido]butanamido}heptanamido)propanamido]-6-methylheptanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0      22.673  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      21.339  -0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      21.339   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      20.005  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      20.005  -2.310   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      18.672  -3.080   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      17.338  -2.310   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      17.338  -0.770   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      16.004  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      16.004  -4.620   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      14.670  -2.310   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      13.337  -3.080   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      13.337  -4.620   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      10.669  -4.620   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.669  -0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0       8.002  -3.080   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0       4.001  -2.310   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0       0.000  -3.080   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      21.339  -3.080   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      21.339  -4.620   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0      22.673  -2.310   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      24.006  -3.080   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      25.340  -2.310   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0      24.006  -4.620   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   46                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   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   43                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   37                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   29   38   42                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   37                                                       
CONECT   43   25   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43                                                            
CONECT   46    5   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   49                                                       
CONECT   49   48   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49                                                            
MASTER        0    0    0    0    0    0    0    0   51    0  102    0
END

View in JSmol

Synonyms

Value	Source
4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-2-phenylethylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-6-methylheptanoate	Generator

Chemical Formula

C₃₇H₆₁N₅O₉

Average Mass

719.9210 Da

Monoisotopic Mass

719.44693 Da

IUPAC Name

3-hydroxy-4-[2-(3-hydroxy-6-methyl-4-{3-methyl-2-[2-(3-methylbutanamido)-2-phenylacetamido]butanamido}heptanamido)propanamido]-6-methylheptanoic acid

Traditional Name

3-hydroxy-4-[2-(3-hydroxy-6-methyl-4-{3-methyl-2-[2-(3-methylbutanamido)-2-phenylacetamido]butanamido}heptanamido)propanamido]-6-methylheptanoic acid

CAS Registry Number

Not Available

SMILES

CC(C)CC(NC(=O)C(C)NC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C1=CC=CC=C1)C(C)C)C(O)CC(O)=O

InChI Identifier

InChI=1S/C37H61N5O9/c1-20(2)15-26(28(43)18-31(46)38-24(9)35(49)39-27(16-21(3)4)29(44)19-32(47)48)40-36(50)33(23(7)8)42-37(51)34(25-13-11-10-12-14-25)41-30(45)17-22(5)6/h10-14,20-24,26-29,33-34,43-44H,15-19H2,1-9H3,(H,38,46)(H,39,49)(H,40,50)(H,41,45)(H,42,51)(H,47,48)

InChI Key

MRXGDZORFRGURD-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 peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Peptides

Alternative Parents

Substituents

Alpha peptide
Gamma amino acid or derivatives
Medium-chain hydroxy acid
Medium-chain fatty acid
Amino fatty acid
Beta-hydroxy acid
Branched fatty acid
Hydroxy fatty acid
Methyl-branched fatty acid
Monocyclic benzene moiety
Fatty acyl
Fatty acid
Hydroxy acid
Benzenoid
Secondary alcohol
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Monocarboxylic acid or derivatives
Organic nitrogen compound
Alcohol
Carbonyl group
Hydrocarbon derivative
Organic oxygen compound
Organopnictogen compound
Organooxygen compound
Organic oxide
Organonitrogen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	1.66	ALOGPS
logP	2.2	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	4.32	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	223.26 Å²	ChemAxon
Rotatable Bond Count	22	ChemAxon
Refractivity	190.29 m³·mol⁻¹	ChemAxon
Polarizability	78.56 Å³	ChemAxon
Number of Rings	1	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

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 4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-2-phenylethylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-6-methylheptanoic acid (NP0275703)

MOL for NP0275703 (4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-2-phenylethylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-6-methylheptanoic acid)

3D MOL for NP0275703 (4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-2-phenylethylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-6-methylheptanoic acid)

3D SDF for NP0275703 (4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-2-phenylethylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-6-methylheptanoic acid)

3D-SDF for NP0275703 (4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-2-phenylethylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-6-methylheptanoic acid)

PDB for NP0275703 (4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-2-phenylethylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-6-methylheptanoic acid)

3D PDB for NP0275703 (4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-2-phenylethylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-6-methylheptanoic acid)

SMILES for NP0275703 (4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-2-phenylethylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-6-methylheptanoic acid)

INCHI for NP0275703 (4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-2-phenylethylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-6-methylheptanoic acid)

Structure for NP0275703 (4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-2-phenylethylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-6-methylheptanoic acid)

3D Structure for NP0275703 (4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-2-phenylethylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-6-methylheptanoic acid)