NP-MRD: Showing NP-Card for 2-[(2-{[4-carboxy-2-({2-[(1,3-dihydroxy-8,10-dimethyldodecylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoic acid (NP0144718)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-01 23:45:38 UTC

Updated at

2022-09-01 23:45:38 UTC

NP-MRD ID

NP0144718

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-[(2-{[4-carboxy-2-({2-[(1,3-dihydroxy-8,10-dimethyldodecylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoic acid

Description

2-[(2-{[4-Carboxy-2-({2-[(1,3-dihydroxy-8,10-dimethyldodecylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoic 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. Based on a literature review very few articles have been published on 2-[(2-{[4-carboxy-2-({2-[(1,3-dihydroxy-8,10-dimethyldodecylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022201452D          

 50 49  0  0  0  0            999 V2000
    3.5211    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    4.0954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    4.0954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0947    2.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8092    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8092    4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237    5.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381    4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237    2.0329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381    1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9526    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6671    1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3815    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3815    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0960    1.6204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381    0.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9526    0.3829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237    0.3829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237   -0.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8092   -0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8092   -1.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237   -2.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0947   -2.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381   -0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9526   -0.4421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381   -1.6796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9526   -2.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6671   -1.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3815   -2.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0960   -1.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3815   -2.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9526   -2.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6671   -3.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381   -3.3296    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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  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
 12 13  1  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  2  0  0  0  0
 17 18  1  4  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  4  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 26 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 34 35  1  4  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 35 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
 42 43  1  4  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 43 48  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
M  END

     RDKit          3D

118117  0  0  0  0  0  0  0  0999 V2000
   12.6513    1.0291    0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5293    1.6858    0.9007 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4641    0.8232    1.4403 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0102   -0.2143    2.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3681    0.3110    0.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167   -0.5495   -0.5612 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3807    0.0676   -1.7099 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4863   -1.3441   -1.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2514   -0.6976   -1.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3928    0.0461   -0.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1980    0.6483   -1.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2527   -0.2828   -2.0308 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7832   -1.0514   -3.0415 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5090   -1.1890   -1.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7372   -0.2626   -0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4415    0.3798    0.8978 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5290   -0.1458   -0.3362 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172    0.5528    0.1957 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6348    1.9154    0.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1629    2.9741   -0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2791    4.2502    0.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4619    3.3642   -1.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8209    0.3350   -0.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6465    0.5967   -1.9878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9489   -0.0267   -0.2681 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6098   -0.3904    0.9181 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3055   -1.8220    1.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6941   -2.8398    0.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3702   -4.2053    0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8450   -4.3316    1.9223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6200   -5.3483    0.0438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0930   -0.2309    0.6885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6130    0.8696    0.0327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9095   -1.1183    1.1028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3276   -1.1423    0.9787 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.8940   -2.2642    1.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3874   -2.3875    1.7291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0929   -1.1640    2.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7386   -3.5875    2.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7923   -1.0694   -0.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2598   -1.9661   -1.3313 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6533   -0.2168   -0.8056 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2215    0.0181   -2.0762 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.3351    1.0614   -2.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8319    2.3879   -1.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2554    2.2924   -0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0402    3.3054   -1.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7653   -1.2162   -2.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -1.1322   -3.8275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7168   -2.4169   -1.9996 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6108    1.2820    0.7194 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8122    1.3751   -0.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6147   -0.0787    0.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0644    2.4479    0.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9270    2.3096    1.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8999    1.5332    2.1904 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1621   -0.5625    3.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6118   -0.9770    1.9417 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6943    0.3583    3.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5254   -0.0985    1.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9026    1.2992    0.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3461   -1.4210   -0.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4505    1.1424   -1.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8120   -0.1617   -2.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3578   -0.3849   -1.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9095   -2.0140   -1.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2003   -2.1145   -0.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4851   -0.0156   -2.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6587   -1.5275   -2.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0174   -0.6379    0.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8603    0.8767   -0.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6448    1.2780   -2.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7267    1.3905   -0.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4102    0.3628   -2.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0655   -1.7172   -3.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7656   -1.7874   -1.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2324   -1.7995   -0.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3603    1.3270    1.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1639   -0.0469    1.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1861    1.8492    1.6677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4024    2.2444    1.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2317    2.7433   -0.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3093    4.6435    0.9945 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8216    5.0476    0.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8297    3.9903    1.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6396    3.2583   -1.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5999    4.4707   -1.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8035    2.8897   -2.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2293    0.5747   -2.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3662    0.2410    1.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8683   -2.0137    2.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2433   -1.8651    1.6151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9860   -2.6704   -0.5623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7077   -2.7530   -0.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4242   -5.5351   -0.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1836    1.7836    0.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6910   -0.1875    1.4699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5143   -2.1419    2.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4801   -3.2189    1.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6794   -2.6580    0.6965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7756   -1.4678    3.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4200   -0.3726    2.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7770   -0.8259    1.4099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0031   -3.6671    3.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7560   -4.5183    2.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7112   -3.3415    3.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0536   -1.7673   -2.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4014    0.4288   -2.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1811    0.6846   -1.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7061    1.2494   -3.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0811    2.7645   -2.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1579    2.1388   -0.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4894    3.2316    0.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7839    1.4812    0.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7553    4.3350   -1.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4511    3.2704   -0.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8607    2.9772   -2.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2331   -3.2323   -2.3105 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  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 18 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 31  1  0
 29 30  2  0
 26 32  1  0
 32 33  1  0
 32 34  2  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  1  0
 35 40  1  0
 40 41  1  0
 40 42  2  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 45 47  1  0
 43 48  1  0
 48 50  1  0
 48 49  2  0
  1 51  1  0
  1 52  1  0
  1 53  1  0
  2 54  1  0
  2 55  1  0
  3 56  1  1
  4 57  1  0
  4 58  1  0
  4 59  1  0
  5 60  1  0
  5 61  1  0
  6 62  1  1
  7 63  1  0
  7 64  1  0
  7 65  1  0
  8 66  1  0
  8 67  1  0
  9 68  1  0
  9 69  1  0
 10 70  1  0
 10 71  1  0
 11 72  1  0
 11 73  1  0
 12 74  1  6
 13 75  1  0
 14 76  1  0
 14 77  1  0
 16 78  1  0
 18 79  1  1
 19 80  1  0
 19 81  1  0
 20 82  1  0
 21 83  1  0
 21 84  1  0
 21 85  1  0
 22 86  1  0
 22 87  1  0
 22 88  1  0
 24 89  1  0
 26 90  1  1
 27 91  1  0
 27 92  1  0
 28 93  1  0
 28 94  1  0
 31 95  1  0
 33 96  1  0
 35 97  1  1
 36 98  1  0
 36 99  1  0
 37100  1  0
 38101  1  0
 38102  1  0
 38103  1  0
 39104  1  0
 39105  1  0
 39106  1  0
 41107  1  0
 43108  1  6
 44109  1  0
 44110  1  0
 45111  1  0
 46112  1  0
 46113  1  0
 46114  1  0
 47115  1  0
 47116  1  0
 47117  1  0
 50118  1  0
M  END


  Mrv1652309022201452D          

 50 49  0  0  0  0            999 V2000
    3.5211    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    4.0954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    4.0954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0947    2.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8092    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8092    4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237    5.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381    4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237    2.0329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381    1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9526    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6671    1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3815    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3815    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0960    1.6204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381    0.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9526    0.3829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237    0.3829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237   -0.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8092   -0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8092   -1.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237   -2.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0947   -2.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381   -0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9526   -0.4421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381   -1.6796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9526   -2.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6671   -1.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3815   -2.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0960   -1.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3815   -2.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9526   -2.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6671   -3.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381   -3.3296    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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  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
 12 13  1  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  2  0  0  0  0
 17 18  1  4  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  4  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 26 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 34 35  1  4  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 35 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
 42 43  1  4  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 43 48  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0144718

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)CC(C)CCCCC(O)CC(O)=NC(CC(C)C)C(O)=NC(CCC(O)=O)C(O)=NC(CC(C)C)C(O)=NC(CC(C)C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C37H68N4O9/c1-10-25(8)20-26(9)13-11-12-14-27(42)21-32(43)38-29(17-22(2)3)35(47)39-28(15-16-33(44)45)34(46)40-30(18-23(4)5)36(48)41-31(37(49)50)19-24(6)7/h22-31,42H,10-21H2,1-9H3,(H,38,43)(H,39,47)(H,40,46)(H,41,48)(H,44,45)(H,49,50)

> <INCHI_KEY>
CMFPORNVNZYLRH-UHFFFAOYSA-N

> <FORMULA>
C37H68N4O9

> <MOLECULAR_WEIGHT>
712.97

> <EXACT_MASS>
712.498629786

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
118

> <JCHEM_AVERAGE_POLARIZABILITY>
80.84192630442956

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(2-{[4-carboxy-2-({2-[(1,3-dihydroxy-8,10-dimethyldodecylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoic acid

> <ALOGPS_LOGP>
3.39

> <JCHEM_LOGP>
8.01459951722532

> <ALOGPS_LOGS>
-5.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.6454393287128526

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.2073968133457926

> <JCHEM_PKA_STRONGEST_BASIC>
2.06622755618259

> <JCHEM_POLAR_SURFACE_AREA>
225.18999999999997

> <JCHEM_REFRACTIVITY>
192.37990000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
27

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.70e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[(2-{[4-carboxy-2-({2-[(1,3-dihydroxy-8,10-dimethyldodecylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0       6.573   5.335   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.906   6.105   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.240   5.335   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.240   3.795   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.574   6.105   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.907   5.335   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.907   3.795   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.241   6.105   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.575   5.335   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      15.908   6.105   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      17.242   5.335   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      18.576   6.105   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      18.576   7.645   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      19.909   5.335   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      21.243   6.105   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      21.243   7.645   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0      22.577   5.335   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      23.910   6.105   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      23.910   7.645   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      25.244   8.415   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      25.244   9.955   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      26.578   7.645   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      25.244   5.335   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      26.578   6.105   0.000  0.00  0.00           O+0
HETATM   25  N   UNK     0      25.244   3.795   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0      26.578   3.025   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      27.912   3.795   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      29.245   3.025   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      30.579   3.795   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      30.579   5.335   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      31.913   3.025   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      26.578   1.485   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      27.912   0.715   0.000  0.00  0.00           O+0
HETATM   34  N   UNK     0      25.244   0.715   0.000  0.00  0.00           N+0
HETATM   35  C   UNK     0      25.244  -0.825   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      23.910  -1.595   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      23.910  -3.135   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      25.244  -3.905   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      22.577  -3.905   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      26.578  -1.595   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      27.912  -0.825   0.000  0.00  0.00           O+0
HETATM   42  N   UNK     0      26.578  -3.135   0.000  0.00  0.00           N+0
HETATM   43  C   UNK     0      27.912  -3.905   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      29.245  -3.135   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      30.579  -3.905   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      31.913  -3.135   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      30.579  -5.445   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      27.912  -5.445   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      29.245  -6.215   0.000  0.00  0.00           O+0
HETATM   50  O   UNK     0      26.578  -6.215   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                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   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                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   18   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27   32                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   26   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36   40                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40   35   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43                                                       
CONECT   43   42   44   48                                                  
CONECT   44   43   45                                                       
CONECT   45   44   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45                                                            
CONECT   48   43   49   50                                                  
CONECT   49   48                                                            
CONECT   50   48                                                            
MASTER        0    0    0    0    0    0    0    0   50    0   98    0
END

View in JSmol

Synonyms

Value	Source
2-[(2-{[4-carboxy-2-({2-[(1,3-dihydroxy-8,10-dimethyldodecylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoate	Generator

Chemical Formula

C₃₇H₆₈N₄O₉

Average Mass

712.9700 Da

Monoisotopic Mass

712.49863 Da

IUPAC Name

2-[(2-{[4-carboxy-2-({2-[(1,3-dihydroxy-8,10-dimethyldodecylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoic acid

Traditional Name

2-[(2-{[4-carboxy-2-({2-[(1,3-dihydroxy-8,10-dimethyldodecylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoic acid

CAS Registry Number

Not Available

SMILES

CCC(C)CC(C)CCCCC(O)CC(O)=NC(CC(C)C)C(O)=NC(CCC(O)=O)C(O)=NC(CC(C)C)C(O)=NC(CC(C)C)C(O)=O

InChI Identifier

InChI=1S/C37H68N4O9/c1-10-25(8)20-26(9)13-11-12-14-27(42)21-32(43)38-29(17-22(2)3)35(47)39-28(15-16-33(44)45)34(46)40-30(18-23(4)5)36(48)41-31(37(49)50)19-24(6)7/h22-31,42H,10-21H2,1-9H3,(H,38,43)(H,39,47)(H,40,46)(H,41,48)(H,44,45)(H,49,50)

InChI Key

CMFPORNVNZYLRH-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
Leucine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid or derivatives
Branched fatty acid
Hydroxy fatty acid
Methyl-branched fatty acid
Dicarboxylic acid or derivatives
Fatty acyl
Fatty acid
Secondary alcohol
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Organic oxide
Organopnictogen compound
Organic nitrogen compound
Alcohol
Hydrocarbon derivative
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic 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	3.39	ALOGPS
logP	8.01	ChemAxon
logS	-5.3	ALOGPS
pKa (Strongest Acidic)	3.21	ChemAxon
pKa (Strongest Basic)	2.07	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	225.19 Å²	ChemAxon
Rotatable Bond Count	27	ChemAxon
Refractivity	192.38 m³·mol⁻¹	ChemAxon
Polarizability	80.84 Å³	ChemAxon
Number of Rings	0	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

162985441

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-[(2-{[4-carboxy-2-({2-[(1,3-dihydroxy-8,10-dimethyldodecylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoic acid (NP0144718)

MOL for NP0144718 (2-[(2-{[4-carboxy-2-({2-[(1,3-dihydroxy-8,10-dimethyldodecylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoic acid)

3D MOL for NP0144718 (2-[(2-{[4-carboxy-2-({2-[(1,3-dihydroxy-8,10-dimethyldodecylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoic acid)

3D SDF for NP0144718 (2-[(2-{[4-carboxy-2-({2-[(1,3-dihydroxy-8,10-dimethyldodecylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoic acid)

3D-SDF for NP0144718 (2-[(2-{[4-carboxy-2-({2-[(1,3-dihydroxy-8,10-dimethyldodecylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoic acid)

PDB for NP0144718 (2-[(2-{[4-carboxy-2-({2-[(1,3-dihydroxy-8,10-dimethyldodecylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoic acid)

3D PDB for NP0144718 (2-[(2-{[4-carboxy-2-({2-[(1,3-dihydroxy-8,10-dimethyldodecylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoic acid)

SMILES for NP0144718 (2-[(2-{[4-carboxy-2-({2-[(1,3-dihydroxy-8,10-dimethyldodecylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoic acid)

INCHI for NP0144718 (2-[(2-{[4-carboxy-2-({2-[(1,3-dihydroxy-8,10-dimethyldodecylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoic acid)

Structure for NP0144718 (2-[(2-{[4-carboxy-2-({2-[(1,3-dihydroxy-8,10-dimethyldodecylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoic acid)

3D Structure for NP0144718 (2-[(2-{[4-carboxy-2-({2-[(1,3-dihydroxy-8,10-dimethyldodecylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoic acid)