NP-MRD: Showing NP-Card for 5-({5-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]-2-[(1-hydroxyethylidene)amino]pentanoyl}oxy)-n-[3-(5-{3-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]propyl}-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)propyl]-3-methylpent-2-enimidic acid (NP0288621)

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Record Information

Version

2.0

Created at

2022-09-09 18:23:47 UTC

Updated at

2022-09-09 18:23:47 UTC

NP-MRD ID

NP0288621

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-({5-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]-2-[(1-hydroxyethylidene)amino]pentanoyl}oxy)-n-[3-(5-{3-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]propyl}-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)propyl]-3-methylpent-2-enimidic acid

Description

5-({5-[(1,5-Dihydroxy-3-methylpent-2-en-1-ylidene)amino]-2-[(1-hydroxyethylidene)amino]pentanoyl}oxy)-N-[3-(5-{3-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]propyl}-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)propyl]-3-methylpent-2-enimidic acid belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. Based on a literature review very few articles have been published on 5-({5-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]-2-[(1-hydroxyethylidene)amino]pentanoyl}oxy)-N-[3-(5-{3-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]propyl}-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)propyl]-3-methylpent-2-enimidic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092220232D          

 51 51  0  0  0  0            999 V2000
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -9.0750    0.0000 N   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   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -9.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   -8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762  -12.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473  -12.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618  -13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473  -14.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328  -13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473  -14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328  -15.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328  -16.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328  -10.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  4  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  4  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  4  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  2  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
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  4  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  1  0  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
 35 36  1  0  0  0  0
 37 36  1  4  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 40 38  1  4  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 33 46  1  0  0  0  0
 46 47  2  0  0  0  0
 29 47  1  0  0  0  0
 47 48  1  0  0  0  0
  2 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
M  END

     RDKit          3D

107107  0  0  0  0  0  0  0  0999 V2000
   13.1681   -0.1654   -0.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2172    0.9167   -0.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9842    0.5724   -0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8901    1.3807    0.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0791    2.7542    0.7240 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167    0.9380    0.6300 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2338   -0.3658    0.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9431   -0.3239   -0.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4860   -1.7412   -0.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2598   -1.9277   -1.3916 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8716   -3.3014   -1.5419 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3705   -4.3416   -1.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7589   -5.6713   -1.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4673   -4.3432   -0.2335 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0859   -1.1988   -0.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0189   -1.8453   -0.5338 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1066    0.1231   -0.5109 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1725    0.9287    0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9040    0.9141    1.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5239   -0.3004    2.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6343   -1.3209    2.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3892   -0.5842    2.7347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1932    0.2293    2.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1231    1.4883    2.2805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8171   -0.2848    3.4260 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0698    0.2946    3.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5838    1.2256    2.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7433    0.6210    1.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7351   -0.5280    1.3319 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9189   -1.1367    0.0148 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7173   -0.6887   -0.8804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9044   -1.2453   -2.1259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5108    0.5302   -0.5569 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.8696    0.4596   -1.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7084    1.6414   -0.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0175    1.5989   -1.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8523    0.5934   -1.4034 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3715   -0.4316   -1.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6343   -1.5992   -0.6598 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8242   -0.6170   -1.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6632    0.2992   -1.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2573    1.6491   -1.8808 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1583    0.0167   -1.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7933    0.9701   -0.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1709    0.6818   -0.4631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8227    0.4999    0.8546 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0376    0.0239    1.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4193    0.0327    3.1184 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7586    2.2605   -0.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2913    2.7875   -1.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2319    2.8177   -2.3144 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5194    0.1709   -1.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0122   -0.1912   -0.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6386   -1.1152   -0.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7814   -0.5153   -0.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6391    3.3872    0.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9583   -1.0202   -0.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9960   -0.8486    1.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1533    0.1791   -1.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1992    0.2691    0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3057   -2.1723    0.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3227   -2.3534   -1.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3787   -1.4818   -2.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5466   -6.4457   -1.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4056   -5.6761   -2.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9565   -5.8993   -0.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4558   -4.5693    0.7561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1789    0.6774   -0.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4113    2.0055   -0.2819 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8767    1.3359    1.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2040    1.7724    1.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2693   -2.2877    2.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5721   -1.0176    1.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7967   -1.4026    3.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3239   -1.5835    3.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    1.7353    1.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0406    0.8951    4.6019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8434   -0.5032    3.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0163    2.1709    2.6306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6187    1.5306    2.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8043    0.1995    0.8163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1264    1.4248    0.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3426   -1.2609    2.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7858   -1.3977   -2.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0355    1.4699   -0.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6791    0.4350   -2.3812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3220   -0.4978   -1.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1478    2.5811   -1.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9495    1.6029    0.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7228    1.6126   -2.8196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4607    2.6608   -1.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8180   -2.4500   -1.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2165   -1.5903   -0.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7623    2.2482   -1.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1784    2.2381   -2.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6280    1.5853   -2.8035 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3295   -1.0500   -1.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5086    0.1660   -2.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4234    0.8329    0.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5982    1.9981   -0.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6176    1.5349   -0.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2661   -0.7922    3.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1323    3.0290    0.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6862    2.1497    0.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6327    3.8253   -1.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1368    2.1813   -1.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5606    2.9304   -3.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
 13 12  1  0
 12 14  1  0
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 11 10  1  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  4  2  0
  4  5  1  0
  4  3  1  0
  3  2  2  0
  2  1  1  0
  2 49  1  0
 49 50  1  0
 50 51  1  0
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 17 18  1  0
 18 19  1  0
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 23 24  1  0
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 25 26  1  0
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 29 30  1  0
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 31 32  1  0
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 47 29  1  0
 13 64  1  0
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 14 67  1  0
 10 63  1  6
  9 61  1  0
  9 62  1  0
  8 59  1  0
  8 60  1  0
  7 57  1  0
  7 58  1  0
  5 56  1  0
  3 55  1  0
  1 52  1  0
  1 53  1  0
  1 54  1  0
 49103  1  0
 49104  1  0
 50105  1  0
 50106  1  0
 51107  1  0
 18 68  1  0
 18 69  1  0
 19 70  1  0
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 21 72  1  0
 21 73  1  0
 21 74  1  0
 22 75  1  0
 24 76  1  0
 26 77  1  0
 26 78  1  0
 27 79  1  0
 27 80  1  0
 28 81  1  0
 28 82  1  0
 29 83  1  1
 32 84  1  0
 33 85  1  1
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 34 87  1  0
 35 88  1  0
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 39 92  1  0
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 42 95  1  0
 42 96  1  0
 43 97  1  0
 43 98  1  0
 44 99  1  0
 44100  1  0
 45101  1  0
 48102  1  0
M  END


  Mrv1652309092220232D          

 51 51  0  0  0  0            999 V2000
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -9.0750    0.0000 N   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   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -9.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   -8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762  -12.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473  -12.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618  -13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473  -14.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328  -13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473  -14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328  -15.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328  -16.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328  -10.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  4  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  4  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  4  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  2  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
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  4  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  1  0  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
 35 36  1  0  0  0  0
 37 36  1  4  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 40 38  1  4  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 33 46  1  0  0  0  0
 46 47  2  0  0  0  0
 29 47  1  0  0  0  0
 47 48  1  0  0  0  0
  2 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0288621

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(O)=NC(CCCN=C(O)C=C(C)CCO)C(=O)OCCC(C)=CC(O)=NCCCC1N=C(O)C(CCCN=C(O)C=C(C)CCO)N=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C35H56N6O10/c1-23(11-17-42)20-30(45)36-14-5-8-27-33(48)41-28(34(49)40-27)9-6-15-37-32(47)22-25(3)13-19-51-35(50)29(39-26(4)44)10-7-16-38-31(46)21-24(2)12-18-43/h20-22,27-29,42-43H,5-19H2,1-4H3,(H,36,45)(H,37,47)(H,38,46)(H,39,44)(H,40,49)(H,41,48)

> <INCHI_KEY>
RMFKPFACUDNIBY-UHFFFAOYSA-N

> <FORMULA>
C35H56N6O10

> <MOLECULAR_WEIGHT>
720.865

> <EXACT_MASS>
720.405792027

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
107

> <JCHEM_AVERAGE_POLARIZABILITY>
79.43383912644809

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-({5-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]-2-[(1-hydroxyethylidene)amino]pentanoyl}oxy)-N-[3-(5-{3-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]propyl}-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)propyl]-3-methylpent-2-enimidic acid

> <JCHEM_LOGP>
-0.8546485762430237

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
4.140283302852538

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3434759607904874

> <JCHEM_PKA_STRONGEST_BASIC>
7.23943299100938

> <JCHEM_POLAR_SURFACE_AREA>
262.29999999999995

> <JCHEM_REFRACTIVITY>
194.03760000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
25

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
5-({5-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]-2-[(1-hydroxyethylidene)amino]pentanoyl}oxy)-N-[3-(5-{3-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]propyl}-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)propyl]-3-methylpent-2-enimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0       4.001 -14.630   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.001 -16.170   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335 -16.940   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668 -16.170   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       6.668 -14.630   0.000  0.00  0.00           O+0
HETATM    6  N   UNK     0       8.002 -16.940   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       9.336 -16.170   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.669 -16.940   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.003 -16.170   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      13.337 -16.940   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      13.337 -18.480   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      14.670 -19.250   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.670 -20.790   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      16.004 -18.480   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      14.670 -16.170   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      14.670 -14.630   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      16.004 -16.940   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      17.338 -16.170   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      18.672 -16.940   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      20.005 -16.170   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      20.005 -14.630   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      21.339 -16.940   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      22.673 -16.170   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      22.673 -14.630   0.000  0.00  0.00           O+0
HETATM   25  N   UNK     0      24.006 -16.940   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0      25.340 -16.170   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      26.674 -16.940   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      28.007 -16.170   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      29.341 -16.940   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0      30.675 -16.170   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0      32.008 -16.940   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      33.342 -16.170   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      32.008 -18.480   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      33.342 -19.250   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      33.342 -20.790   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      34.676 -21.560   0.000  0.00  0.00           C+0
HETATM   37  N   UNK     0      34.676 -23.100   0.000  0.00  0.00           N+0
HETATM   38  C   UNK     0      33.342 -23.870   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      32.008 -23.100   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      33.342 -25.410   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      32.008 -26.180   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      30.675 -25.410   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      32.008 -27.720   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      30.675 -28.490   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      30.675 -30.030   0.000  0.00  0.00           O+0
HETATM   46  N   UNK     0      30.675 -19.250   0.000  0.00  0.00           N+0
HETATM   47  C   UNK     0      29.341 -18.480   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      28.007 -19.250   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0       2.667 -16.940   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       1.334 -16.170   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0       0.000 -16.940   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   49                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   10   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   47                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   46                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41                                                       
CONECT   41   40   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44                                                            
CONECT   46   33   47                                                       
CONECT   47   46   29   48                                                  
CONECT   48   47                                                            
CONECT   49    2   50                                                       
CONECT   50   49   51                                                       
CONECT   51   50                                                            
MASTER        0    0    0    0    0    0    0    0   51    0  102    0
END

View in JSmol

Synonyms

Value	Source
5-({5-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]-2-[(1-hydroxyethylidene)amino]pentanoyl}oxy)-N-[3-(5-{3-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]propyl}-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)propyl]-3-methylpent-2-enimidate	Generator

Chemical Formula

C₃₅H₅₆N₆O₁₀

Average Mass

720.8650 Da

Monoisotopic Mass

720.40579 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(O)=NC(CCCN=C(O)C=C(C)CCO)C(=O)OCCC(C)=CC(O)=NCCCC1N=C(O)C(CCCN=C(O)C=C(C)CCO)N=C1O

InChI Identifier

InChI=1S/C35H56N6O10/c1-23(11-17-42)20-30(45)36-14-5-8-27-33(48)41-28(34(49)40-27)9-6-15-37-32(47)22-25(3)13-19-51-35(50)29(39-26(4)44)10-7-16-38-31(46)21-24(2)12-18-43/h20-22,27-29,42-43H,5-19H2,1-4H3,(H,36,45)(H,37,47)(H,38,46)(H,39,44)(H,40,49)(H,41,48)

InChI Key

RMFKPFACUDNIBY-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 n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

N-acyl-alpha amino acids and derivatives

Alternative Parents

Substituents

N-acyl-alpha amino acid or derivatives
Alpha-amino acid ester
2,5-dioxopiperazine
Dioxopiperazine
Fatty acid ester
Fatty acyl
Piperazine
N-acyl-amine
1,4-diazinane
Acetamide
Secondary carboxylic acid amide
Lactam
Carboxylic acid ester
Carboxamide group
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Carbonyl group
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic 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
logP	-0.85	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

163085080

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5-({5-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]-2-[(1-hydroxyethylidene)amino]pentanoyl}oxy)-n-[3-(5-{3-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]propyl}-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)propyl]-3-methylpent-2-enimidic acid (NP0288621)

MOL for NP0288621 (5-({5-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]-2-[(1-hydroxyethylidene)amino]pentanoyl}oxy)-n-[3-(5-{3-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]propyl}-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)propyl]-3-methylpent-2-enimidic acid)

3D MOL for NP0288621 (5-({5-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]-2-[(1-hydroxyethylidene)amino]pentanoyl}oxy)-n-[3-(5-{3-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]propyl}-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)propyl]-3-methylpent-2-enimidic acid)

3D SDF for NP0288621 (5-({5-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]-2-[(1-hydroxyethylidene)amino]pentanoyl}oxy)-n-[3-(5-{3-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]propyl}-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)propyl]-3-methylpent-2-enimidic acid)

3D-SDF for NP0288621 (5-({5-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]-2-[(1-hydroxyethylidene)amino]pentanoyl}oxy)-n-[3-(5-{3-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]propyl}-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)propyl]-3-methylpent-2-enimidic acid)

PDB for NP0288621 (5-({5-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]-2-[(1-hydroxyethylidene)amino]pentanoyl}oxy)-n-[3-(5-{3-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]propyl}-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)propyl]-3-methylpent-2-enimidic acid)

3D PDB for NP0288621 (5-({5-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]-2-[(1-hydroxyethylidene)amino]pentanoyl}oxy)-n-[3-(5-{3-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]propyl}-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)propyl]-3-methylpent-2-enimidic acid)

SMILES for NP0288621 (5-({5-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]-2-[(1-hydroxyethylidene)amino]pentanoyl}oxy)-n-[3-(5-{3-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]propyl}-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)propyl]-3-methylpent-2-enimidic acid)

INCHI for NP0288621 (5-({5-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]-2-[(1-hydroxyethylidene)amino]pentanoyl}oxy)-n-[3-(5-{3-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]propyl}-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)propyl]-3-methylpent-2-enimidic acid)

Structure for NP0288621 (5-({5-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]-2-[(1-hydroxyethylidene)amino]pentanoyl}oxy)-n-[3-(5-{3-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]propyl}-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)propyl]-3-methylpent-2-enimidic acid)

3D Structure for NP0288621 (5-({5-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]-2-[(1-hydroxyethylidene)amino]pentanoyl}oxy)-n-[3-(5-{3-[(1,5-dihydroxy-3-methylpent-2-en-1-ylidene)amino]propyl}-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)propyl]-3-methylpent-2-enimidic acid)