NP-MRD: Showing NP-Card for (3s,4e,6e,8e,10e)-3-hydroxy-n-[(2e,4e,6s,7s,9r)-6-hydroxy-9-[(1r,4s,7r,8s)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dien-1-yl]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenimidic acid (NP0198730)

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Record Information

Version

1.0

Created at

2022-09-04 17:13:24 UTC

Updated at

2022-09-04 17:13:25 UTC

NP-MRD ID

NP0198730

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3s,4e,6e,8e,10e)-3-hydroxy-n-[(2e,4e,6s,7s,9r)-6-hydroxy-9-[(1r,4s,7r,8s)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dien-1-yl]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenimidic acid

Description

(3S,4E,6E,8E,10E)-3-hydroxy-N-[(2E,4E,6S,7S,9R)-6-hydroxy-9-[(1R,4S,7R,8S)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]Octan-8-yl]-9-methoxy-7-methylnona-2,4-dien-1-yl]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenimidic acid belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Based on a literature review very few articles have been published on (3S,4E,6E,8E,10E)-3-hydroxy-N-[(2E,4E,6S,7S,9R)-6-hydroxy-9-[(1R,4S,7R,8S)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]Octan-8-yl]-9-methoxy-7-methylnona-2,4-dien-1-yl]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenimidic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042219132D          

 49 50  0  0  1  0            999 V2000
    2.9516    1.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391    1.2396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9516    0.5251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7766    0.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1891    1.2396    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7766    1.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0141    1.2396    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4266    0.5251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4266    1.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2516    1.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6641    2.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4891    2.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9016    3.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7266    3.3830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1391    2.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7266    1.9540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9641    2.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9641    3.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9641    1.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7891    2.6685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2016    3.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2016    1.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0266    1.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7891    1.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2016    0.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7891   -0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2016   -0.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7891   -1.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2016   -2.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0266   -2.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7891   -3.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9641   -3.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2016   -3.7617    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.7891   -4.4762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0266   -3.7617    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5391   -0.1894    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8717    0.2955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2928   -0.5249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0073   -0.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2065   -1.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8196   -1.8975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3996   -1.5170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0640   -2.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9871   -0.8025    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3459   -1.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2597   -2.1422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8267   -0.6805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4679   -0.1613    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5541    0.6591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  4  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 36  3  1  6  0  0  0
 36 37  1  1  0  0  0
 36 38  1  0  0  0  0
 38 39  1  1  0  0  0
 38 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 36 44  1  0  0  0  0
 44 45  1  6  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 44 48  1  0  0  0  0
 48 49  1  6  0  0  0
M  CHG  2  33   1  35  -1
M  END

     RDKit          3D

102103  0  0  0  0  0  0  0  0999 V2000
   -5.3422   -1.3373    1.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9163   -0.0662    1.3653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2650   -0.2033    0.0171 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2953    0.4942   -0.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8942    0.1996   -1.0449 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2644    1.3196   -1.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5417   -1.1088   -1.8169 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7695   -2.2609   -1.2888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1969   -0.8308   -2.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1588   -0.6778   -1.6426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1413   -0.3556   -2.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1187   -0.2543   -1.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5101    0.0036   -1.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1381    1.0139    0.1007 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3928    0.0810    0.9424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0172    0.8693    2.3905 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7754   -1.1430    1.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9773   -1.6320    2.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1800   -2.3138    0.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2048   -1.6741    1.4489 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5161   -1.9311    0.0831 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2900   -0.8534    1.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2576   -0.2588    3.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3452   -0.6399    1.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5091    0.0634    1.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5806    0.6725    1.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7593    1.3786    1.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5084    1.1746    0.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7096    1.6137    0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5405    2.7766    0.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1635    0.8879   -0.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3360   -0.1806   -1.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3390    1.3687   -1.5428 N   0  0  0  0  0  4  0  0  0  0  0  0
   13.3366    1.7064   -2.7136 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4911    1.3769   -0.7720 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.6901   -0.1051   -0.3091 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.4025   -1.0051    0.5327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9320   -0.7895   -1.6843 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.7095   -2.3041   -1.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5012   -0.6718   -1.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3899   -1.2735   -1.9742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5293    0.8051   -1.3083 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7141    1.5987   -1.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3791    1.1711   -0.5696 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.6399    2.3195   -1.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2160    2.9999   -1.9610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3526    2.6634    0.3729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6375    2.1245    0.5524 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.0369    1.7641    1.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9695   -1.2615    2.7512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2328   -2.0284    1.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6198   -1.5677    0.9947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9705   -1.3257   -0.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2559    1.6296   -0.4519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7114    0.7261   -1.8763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2445    0.0726   -0.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3932    1.7318   -1.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9582    2.1774   -2.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9861    0.9165   -2.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2298   -1.0019   -2.7765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4854   -2.7847   -1.6561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9977   -0.8477   -3.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2613   -0.8849   -0.5767 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2827   -0.2503   -3.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6199   -0.3881   -0.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4313   -0.1154   -1.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5637    1.0459   -1.9634 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360    0.4718    2.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1787   -2.7582    2.8063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2086   -1.2260    3.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8972   -1.5523    2.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1220   -2.3289    0.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -3.2842    1.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6970   -2.2675   -0.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2600   -2.6863    1.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1526   -2.6951    0.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6866   -0.9892    4.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2904   -0.1962    3.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8247    0.7578    3.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3052   -1.1211    0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1987   -0.6505    0.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8559    1.4411    2.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2647    1.9466    2.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8434    0.5679   -0.0498 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6150    3.3420   -0.5587 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9994    3.5406    1.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5810    2.5846    0.7842 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0943   -1.0183   -1.7282 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7494   -0.0137   -2.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7307   -0.7303   -0.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3262   -0.6328    1.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4283   -0.3971   -2.4999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7515   -2.5548   -0.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6946   -2.5393   -1.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5434   -2.7865   -2.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4407    1.0368   -2.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5254    2.5654   -2.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1528    1.7684   -0.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3615    2.9073    0.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5393    2.6708    2.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9392    1.0554    1.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3502    1.3524    2.6102 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
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
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 37 91  1  0
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 39 95  1  0
 43 96  1  0
 43 97  1  0
 43 98  1  0
 48 99  1  6
 49100  1  0
 49101  1  0
 49102  1  0
M  CHG  2  33   1  35  -1
M  END


  Mrv1652309042219132D          

 49 50  0  0  1  0            999 V2000
    2.9516    1.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391    1.2396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9516    0.5251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7766    0.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1891    1.2396    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7766    1.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0141    1.2396    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4266    0.5251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4266    1.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2516    1.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6641    2.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4891    2.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9016    3.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7266    3.3830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1391    2.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7266    1.9540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9641    2.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9641    3.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9641    1.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7891    2.6685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2016    3.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2016    1.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0266    1.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7891    1.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2016    0.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7891   -0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2016   -0.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7891   -1.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2016   -2.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0266   -2.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7891   -3.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9641   -3.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2016   -3.7617    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.7891   -4.4762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0266   -3.7617    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5391   -0.1894    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8717    0.2955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2928   -0.5249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0073   -0.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2065   -1.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8196   -1.8975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3996   -1.5170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0640   -2.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9871   -0.8025    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3459   -1.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2597   -2.1422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8267   -0.6805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4679   -0.1613    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5541    0.6591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  4  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 36  3  1  6  0  0  0
 36 37  1  1  0  0  0
 36 38  1  0  0  0  0
 38 39  1  1  0  0  0
 38 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 36 44  1  0  0  0  0
 44 45  1  6  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 44 48  1  0  0  0  0
 48 49  1  6  0  0  0
M  CHG  2  33   1  35  -1
M  END
> <DATABASE_ID>
NP0198730

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@H](C[C@H](C)[C@H](O)\C=C\C=C\CN=C(O)C(C)(C)[C@@H](O)C(\C)=C\C=C\C=C\C(\C)=C(/C)[N+]([O-])=O)[C@]1(O)[C@@H](C)C(=O)N(C)[C@@]11[C@@H](C)OC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C36H53N3O10/c1-22(26(5)39(46)47)17-13-11-14-18-23(2)30(41)34(7,8)32(43)37-20-16-12-15-19-28(40)24(3)21-29(48-10)36(45)25(4)31(42)38(9)35(36)27(6)49-33(35)44/h11-19,24-25,27-30,40-41,45H,20-21H2,1-10H3,(H,37,43)/b14-11+,16-12+,17-13+,19-15+,23-18+,26-22+/t24-,25-,27+,28+,29+,30-,35+,36+/m0/s1

> <INCHI_KEY>
NSTDWVVCICGULY-GNEVBHNVSA-N

> <FORMULA>
C36H53N3O10

> <MOLECULAR_WEIGHT>
687.831

> <EXACT_MASS>
687.373094919

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
102

> <JCHEM_AVERAGE_POLARIZABILITY>
75.31167900537523

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,4E,6E,8E,10E)-3-hydroxy-N-[(2E,4E,6S,7S,9R)-6-hydroxy-9-[(1R,4S,7R,8S)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dien-1-yl]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenimidic acid

> <JCHEM_LOGP>
2.801428315856837

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.384930016006045

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.682637448639399

> <JCHEM_PKA_STRONGEST_BASIC>
5.817860944242236

> <JCHEM_POLAR_SURFACE_AREA>
192.26

> <JCHEM_REFRACTIVITY>
189.9987000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3S,4E,6E,8E,10E)-3-hydroxy-N-[(2E,4E,6S,7S,9R)-6-hydroxy-9-[(1R,4S,7R,8S)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dien-1-yl]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       5.510   3.648   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       4.740   2.314   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       5.510   0.980   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.050   0.980   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.820   2.314   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.050   3.648   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.360   2.314   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      10.130   0.980   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      10.130   3.648   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.670   3.648   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.440   4.981   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      13.980   4.981   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.750   6.315   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0      16.290   6.315   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      17.060   4.981   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      16.290   3.648   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      18.600   4.981   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      18.600   6.521   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      18.600   3.441   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      20.140   4.981   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      20.910   6.315   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      20.910   3.648   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      22.450   3.648   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      20.140   2.314   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      20.910   0.980   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      20.140  -0.354   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      20.910  -1.687   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      20.140  -3.021   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      20.910  -4.355   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      22.450  -4.355   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      20.140  -5.688   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      18.600  -5.688   0.000  0.00  0.00           C+0
HETATM   33  N   UNK     0      20.910  -7.022   0.000  0.00  0.00           N+1
HETATM   34  O   UNK     0      20.140  -8.356   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      22.450  -7.022   0.000  0.00  0.00           O-1
HETATM   36  C   UNK     0       4.740  -0.354   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       3.494   0.552   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       6.147  -0.980   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       7.480  -0.210   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       5.986  -2.511   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       7.130  -3.542   0.000  0.00  0.00           O+0
HETATM   42  N   UNK     0       4.479  -2.832   0.000  0.00  0.00           N+0
HETATM   43  C   UNK     0       3.853  -4.239   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       3.709  -1.498   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       2.512  -2.467   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       2.351  -3.999   0.000  0.00  0.00           O+0
HETATM   47  O   UNK     0       1.543  -1.270   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0       2.740  -0.301   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       2.901   1.230   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   36                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36    3   37   38   44                                             
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   36   45   48                                             
CONECT   45   44   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   48                                                       
CONECT   48   47   44   49                                                  
CONECT   49   48                                                            
MASTER        0    0    0    0    0    0    0    0   49    0  100    0
END

View in JSmol

Synonyms

Value	Source
(3S,4E,6E,8E,10E)-3-Hydroxy-N-[(2E,4E,6S,7S,9R)-6-hydroxy-9-[(1R,4S,7R,8S)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dien-1-yl]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenimidate	Generator

Chemical Formula

C₃₆H₅₃N₃O₁₀

Average Mass

687.8310 Da

Monoisotopic Mass

687.37309 Da

IUPAC Name

(3S,4E,6E,8E,10E)-3-hydroxy-N-[(2E,4E,6S,7S,9R)-6-hydroxy-9-[(1R,4S,7R,8S)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dien-1-yl]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenimidic acid

Traditional Name

CAS Registry Number

Not Available

SMILES

CO[C@H](C[C@H](C)[C@H](O)\C=C\C=C\CN=C(O)C(C)(C)[C@@H](O)C(\C)=C\C=C\C=C\C(\C)=C(/C)[N+]([O-])=O)[C@]1(O)[C@@H](C)C(=O)N(C)[C@@]11[C@@H](C)OC1=O

InChI Identifier

InChI=1S/C36H53N3O10/c1-22(26(5)39(46)47)17-13-11-14-18-23(2)30(41)34(7,8)32(43)37-20-16-12-15-19-28(40)24(3)21-29(48-10)36(45)25(4)31(42)38(9)35(36)27(6)49-33(35)44/h11-19,24-25,27-30,40-41,45H,20-21H2,1-10H3,(H,37,43)/b14-11+,16-12+,17-13+,19-15+,23-18+,26-22+/t24-,25-,27+,28+,29+,30-,35+,36+/m0/s1

InChI Key

NSTDWVVCICGULY-GNEVBHNVSA-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 alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acids and derivatives

Alternative Parents

Substituents

Alpha-amino acid or derivatives
Oxoproline
Fatty amide
N-acyl-amine
Pyrrolidone
2-pyrrolidone
Fatty acyl
N-alkylpyrrolidine
Beta_propiolactone
Pyrrolidine
Tertiary alcohol
Tertiary carboxylic acid amide
Carboxamide group
Carboxylic acid ester
Lactam
Lactone
C-nitro compound
Oxetane
Organic nitro compound
Secondary alcohol
Secondary carboxylic acid amide
Allyl-type 1,3-dipolar organic compound
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Organoheterocyclic compound
Ether
Dialkyl ether
Azacycle
Monocarboxylic acid or derivatives
Organic oxoazanium
Oxacycle
Organic nitrogen compound
Organic oxygen compound
Organic oxide
Carbonyl group
Organic zwitterion
Organonitrogen compound
Organooxygen compound
Alcohol
Hydrocarbon derivative
Organopnictogen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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	2.8	ChemAxon
pKa (Strongest Acidic)	3.68	ChemAxon
pKa (Strongest Basic)	5.82	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	192.26 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	190 m³·mol⁻¹	ChemAxon
Polarizability	75.31 Å³	ChemAxon
Number of Rings	2	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

163186134

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3s,4e,6e,8e,10e)-3-hydroxy-n-[(2e,4e,6s,7s,9r)-6-hydroxy-9-[(1r,4s,7r,8s)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dien-1-yl]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenimidic acid (NP0198730)

MOL for NP0198730 ((3s,4e,6e,8e,10e)-3-hydroxy-n-[(2e,4e,6s,7s,9r)-6-hydroxy-9-[(1r,4s,7r,8s)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dien-1-yl]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenimidic acid)

3D MOL for NP0198730 ((3s,4e,6e,8e,10e)-3-hydroxy-n-[(2e,4e,6s,7s,9r)-6-hydroxy-9-[(1r,4s,7r,8s)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dien-1-yl]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenimidic acid)

3D SDF for NP0198730 ((3s,4e,6e,8e,10e)-3-hydroxy-n-[(2e,4e,6s,7s,9r)-6-hydroxy-9-[(1r,4s,7r,8s)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dien-1-yl]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenimidic acid)

3D-SDF for NP0198730 ((3s,4e,6e,8e,10e)-3-hydroxy-n-[(2e,4e,6s,7s,9r)-6-hydroxy-9-[(1r,4s,7r,8s)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dien-1-yl]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenimidic acid)

PDB for NP0198730 ((3s,4e,6e,8e,10e)-3-hydroxy-n-[(2e,4e,6s,7s,9r)-6-hydroxy-9-[(1r,4s,7r,8s)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dien-1-yl]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenimidic acid)

3D PDB for NP0198730 ((3s,4e,6e,8e,10e)-3-hydroxy-n-[(2e,4e,6s,7s,9r)-6-hydroxy-9-[(1r,4s,7r,8s)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dien-1-yl]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenimidic acid)

SMILES for NP0198730 ((3s,4e,6e,8e,10e)-3-hydroxy-n-[(2e,4e,6s,7s,9r)-6-hydroxy-9-[(1r,4s,7r,8s)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dien-1-yl]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenimidic acid)

INCHI for NP0198730 ((3s,4e,6e,8e,10e)-3-hydroxy-n-[(2e,4e,6s,7s,9r)-6-hydroxy-9-[(1r,4s,7r,8s)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dien-1-yl]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenimidic acid)

Structure for NP0198730 ((3s,4e,6e,8e,10e)-3-hydroxy-n-[(2e,4e,6s,7s,9r)-6-hydroxy-9-[(1r,4s,7r,8s)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dien-1-yl]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenimidic acid)

3D Structure for NP0198730 ((3s,4e,6e,8e,10e)-3-hydroxy-n-[(2e,4e,6s,7s,9r)-6-hydroxy-9-[(1r,4s,7r,8s)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dien-1-yl]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenimidic acid)