NP-MRD: Showing NP-Card for (2s,3r)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyacetamido)hexanoyl]oxy}-2-methyldodecanimidic acid (NP0301565)

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Record Information

Version

2.0

Created at

2022-09-10 14:37:17 UTC

Updated at

2022-09-10 14:37:17 UTC

NP-MRD ID

NP0301565

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3r)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyacetamido)hexanoyl]oxy}-2-methyldodecanimidic acid

Description

(2S,3R)-N-[(3S)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2R)-2-({hydroxy[2-(2-hydroxyphenyl)-1,3-oxazol-4-yl]methylidene}amino)-6-(N-hydroxyacetamido)hexanoyl]oxy}-2-methyldodecanimidic 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 (2S,3R)-N-[(3S)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2R)-2-({hydroxy[2-(2-hydroxyphenyl)-1,3-oxazol-4-yl]methylidene}amino)-6-(N-hydroxyacetamido)hexanoyl]oxy}-2-methyldodecanimidic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102216372D          

 52 54  0  0  1  0            999 V2000
   -3.1009    1.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5906    1.8480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7741    1.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2637    2.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4472    2.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0632    2.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8797    2.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900    3.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2066    3.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7169    3.9695    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5334    3.8516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0438    4.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7376    5.2659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8603    4.3820    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1665    3.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9831    3.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2893    2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1058    2.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4120    1.8480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9017    1.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2285    1.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7389    2.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5347    0.9641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3706    5.0302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1872    4.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4934    4.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6975    5.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4731    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1587    6.8132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8070    6.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6008    6.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8034    7.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5973    7.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1886    6.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9860    6.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1922    5.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9896    5.1523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5219    5.5287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107    4.7355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9210    5.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5942    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2880    5.6195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0838    4.2052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2673    4.3230    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1932    3.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0155    3.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5804    4.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    4.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507    5.4065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8174    6.2288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0192    5.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6204    5.6748    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 14 24  1  6  0  0  0
 24 25  2  0  0  0  0
 25 26  1  4  0  0  0
 25 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
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
 30 38  2  0  0  0  0
 27 38  1  0  0  0  0
 10 39  1  0  0  0  0
 39 40  1  1  0  0  0
 39 41  1  0  0  0  0
 41 42  1  4  0  0  0
 41 43  2  0  0  0  0
 44 43  1  1  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
 44 51  1  0  0  0  0
 51 52  2  0  0  0  0
M  END

     RDKit          3D

107109  0  0  0  0  0  0  0  0999 V2000
   -1.5342    0.2215   -5.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8335    1.4164   -4.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9351    2.5666   -4.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4941    2.2287   -4.7346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9814    1.8260   -3.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7851    2.8396   -2.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3938    2.3258   -1.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310    1.0533   -0.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6316    1.2757   -0.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2550    0.0684    0.4494 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5736   -0.3368    1.6630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2313   -1.6492    1.7777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5159   -2.4314    0.8349 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4632   -2.2678    2.9549 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2793   -3.4233    2.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4272   -3.3424    1.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3393   -2.8433    0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7559   -2.9750   -0.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7971   -2.4868   -1.6284 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4979   -3.3839   -2.6142 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1271   -1.1549   -1.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4841   -0.2250   -0.8093 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1193   -0.7520   -3.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0242   -1.3004    3.8157 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9320   -1.4980    4.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5884   -2.6823    4.9579 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3771   -0.3281    5.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3452   -0.2948    6.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4214    0.9278    6.8870 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5713    1.7309    6.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3866    3.1566    6.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1712    3.7592    7.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0549    5.0991    7.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    5.9138    7.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3704    5.3125    6.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4974    3.9513    5.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6764    3.4536    4.8673 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9354    0.9363    5.3969 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7068    0.3933    0.8677 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2716   -0.8937    1.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5467    0.7349   -0.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3397    1.9230   -0.9791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4448   -0.0769   -0.6706 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3912   -0.0678   -1.7048 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8648   -0.4409   -3.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0917   -1.7180   -2.9868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8210   -2.9040   -3.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2660   -2.8509   -3.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6071   -2.3825   -1.9161 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1393   -3.2435   -0.9964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4676   -1.0632   -1.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3181   -0.6235   -0.5953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0602    0.6160   -6.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5056   -0.2681   -5.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8106   -0.4276   -4.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7008    1.1024   -3.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8725    1.7755   -4.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2435    3.5056   -4.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1075    2.7798   -5.9794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6936    1.3518   -5.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1099    3.0549   -5.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1012    1.6912   -3.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069    0.8639   -3.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2928    3.0286   -2.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3113    3.8074   -2.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5056    2.2851   -1.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2594    3.0893   -0.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3373    0.8710    0.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1367    1.4217   -1.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7811    2.1507    0.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3230   -0.7460   -0.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4262   -2.6959    3.5444 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5204   -4.1826    2.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5515   -3.9981    3.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2759   -2.8111    2.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8596   -4.3976    1.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0354   -1.8251    0.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7101   -3.5127   -0.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5046   -2.4796    0.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5612   -3.7110   -2.4434 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5525   -0.3667   -0.5126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8579   -0.3144    0.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2750   -0.6565    1.9270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2515   -1.7295    0.8229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3665    2.0029   -1.9856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8844    0.9200   -1.7875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3662    0.3856   -3.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7849   -0.6634   -3.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0707   -1.6291   -3.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8827   -1.9557   -1.9106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3157   -3.8347   -3.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7238   -2.8155   -4.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6359   -3.9225   -3.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8570   -2.3507   -4.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3993   -3.4192   -0.3326 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
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  8  9  1  0
  9 10  1  0
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 11 12  1  0
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 14 15  1  0
 15 16  1  0
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 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  2  0
 14 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 38  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 10 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41 43  2  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
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 49 50  1  0
 49 51  1  0
 51 52  2  0
 38 27  1  0
 36 31  1  0
 51 44  1  0
  1 53  1  0
  1 54  1  0
  1 55  1  0
  2 56  1  0
  2 57  1  0
  3 58  1  0
  3 59  1  0
  4 60  1  0
  4 61  1  0
  5 62  1  0
  5 63  1  0
  6 64  1  0
  6 65  1  0
  7 66  1  0
  7 67  1  0
  8 68  1  0
  8 69  1  0
  9 70  1  0
  9 71  1  0
 10 72  1  6
 14 73  1  1
 15 74  1  0
 15 75  1  0
 16 76  1  0
 16 77  1  0
 17 78  1  0
 17 79  1  0
 18 80  1  0
 18 81  1  0
 20 82  1  0
 22 83  1  0
 22 84  1  0
 22 85  1  0
 26 86  1  0
 28 87  1  0
 32 88  1  0
 33 89  1  0
 34 90  1  0
 35 91  1  0
 37 92  1  0
 39 93  1  1
 40 94  1  0
 40 95  1  0
 40 96  1  0
 42 97  1  0
 44 98  1  6
 45 99  1  0
 45100  1  0
 46101  1  0
 46102  1  0
 47103  1  0
 47104  1  0
 48105  1  0
 48106  1  0
 50107  1  0
M  END


  Mrv1652309102216372D          

 52 54  0  0  1  0            999 V2000
   -3.1009    1.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5906    1.8480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7741    1.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2637    2.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4472    2.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0632    2.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8797    2.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900    3.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2066    3.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7169    3.9695    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5334    3.8516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0438    4.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7376    5.2659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8603    4.3820    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1665    3.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9831    3.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2893    2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1058    2.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4120    1.8480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9017    1.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2285    1.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7389    2.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5347    0.9641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3706    5.0302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1872    4.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4934    4.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6975    5.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4731    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1587    6.8132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8070    6.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6008    6.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8034    7.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5973    7.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1886    6.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9860    6.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1922    5.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9896    5.1523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5219    5.5287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107    4.7355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9210    5.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5942    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2880    5.6195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0838    4.2052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2673    4.3230    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1932    3.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0155    3.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5804    4.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    4.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507    5.4065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8174    6.2288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0192    5.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6204    5.6748    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 14 24  1  6  0  0  0
 24 25  2  0  0  0  0
 25 26  1  4  0  0  0
 25 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
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
 30 38  2  0  0  0  0
 27 38  1  0  0  0  0
 10 39  1  0  0  0  0
 39 40  1  1  0  0  0
 39 41  1  0  0  0  0
 41 42  1  4  0  0  0
 41 43  2  0  0  0  0
 44 43  1  1  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
 44 51  1  0  0  0  0
 51 52  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0301565

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCC[C@@H](OC(=O)[C@@H](CCCCN(O)C(C)=O)N=C(O)C1=COC(=N1)C1=CC=CC=C1O)[C@H](C)C(O)=N[C@H]1CCCCN(O)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C37H55N5O10/c1-4-5-6-7-8-9-10-21-32(25(2)33(45)38-28-18-13-16-23-42(50)36(28)47)52-37(48)29(19-14-15-22-41(49)26(3)43)39-34(46)30-24-51-35(40-30)27-17-11-12-20-31(27)44/h11-12,17,20,24-25,28-29,32,44,49-50H,4-10,13-16,18-19,21-23H2,1-3H3,(H,38,45)(H,39,46)/t25-,28-,29+,32+/m0/s1

> <INCHI_KEY>
LGOZXNLEMXJIMS-GLKSPMIPSA-N

> <FORMULA>
C37H55N5O10

> <MOLECULAR_WEIGHT>
729.872

> <EXACT_MASS>
729.394892991

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
107

> <JCHEM_AVERAGE_POLARIZABILITY>
80.45932753600735

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R)-N-[(3S)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2R)-2-({hydroxy[2-(2-hydroxyphenyl)-1,3-oxazol-4-yl]methylidene}amino)-6-(N-hydroxyacetamido)hexanoyl]oxy}-2-methyldodecanimidic acid

> <JCHEM_LOGP>
6.291774163999998

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.427340570777191

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.935553696815193

> <JCHEM_PKA_STRONGEST_BASIC>
1.4014783789917065

> <JCHEM_POLAR_SURFACE_AREA>
218.81999999999996

> <JCHEM_REFRACTIVITY>
202.0472

> <JCHEM_ROTATABLE_BOND_COUNT>
22

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R)-N-[(3S)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2R)-2-({hydroxy[2-(2-hydroxyphenyl)-1,3-oxazol-4-yl]methylidene}amino)-6-(N-hydroxyacetamido)hexanoyl]oxy}-2-methyldodecanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      -5.788   2.240   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.836   3.450   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.312   3.230   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.359   4.440   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.835   4.220   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.118   5.430   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.642   5.210   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.595   6.420   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.119   6.200   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.072   7.410   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       6.596   7.190   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       7.548   8.400   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.977   9.830   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       9.073   8.180   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.644   6.750   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      11.168   6.530   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.740   5.100   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      13.264   4.880   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      13.836   3.450   0.000  0.00  0.00           N+0
HETATM   20  O   UNK     0      12.883   2.240   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      15.360   3.230   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      16.313   4.440   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      15.932   1.800   0.000  0.00  0.00           O+0
HETATM   24  N   UNK     0      10.025   9.390   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      11.549   9.170   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      12.121   7.740   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      12.502  10.380   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      12.083  11.862   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      13.363  12.718   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      14.573  11.765   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      16.055  12.184   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      16.433  13.677   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      17.915  14.096   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      19.019  13.022   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      18.641  11.529   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      17.159  11.110   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      16.781   9.618   0.000  0.00  0.00           O+0
HETATM   38  N   UNK     0      14.041  10.320   0.000  0.00  0.00           N+0
HETATM   39  C   UNK     0       4.500   8.840   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       5.453  10.050   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       2.976   9.060   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       2.404  10.490   0.000  0.00  0.00           O+0
HETATM   43  N   UNK     0       2.023   7.850   0.000  0.00  0.00           N+0
HETATM   44  C   UNK     0       0.499   8.070   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -0.361   6.792   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -1.896   6.667   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      -2.950   7.790   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      -2.730   9.314   0.000  0.00  0.00           C+0
HETATM   49  N   UNK     0      -1.401  10.092   0.000  0.00  0.00           N+0
HETATM   50  O   UNK     0      -1.526  11.627   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0       0.036   9.538   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0       1.158  10.593   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   39                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   24                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   14   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   38                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   38                                                  
CONECT   31   30   32   36                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   31   37                                                  
CONECT   37   36                                                            
CONECT   38   30   27                                                       
CONECT   39   10   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   44                                                       
CONECT   44   43   45   51                                                  
CONECT   45   44   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49   44   52                                                  
CONECT   52   51                                                            
MASTER        0    0    0    0    0    0    0    0   52    0  108    0
END

View in JSmol

Synonyms

Value	Source
(2S,3R)-N-[(3S)-1-Hydroxy-2-oxoazepan-3-yl]-3-{[(2R)-2-({hydroxy[2-(2-hydroxyphenyl)-1,3-oxazol-4-yl]methylidene}amino)-6-(N-hydroxyacetamido)hexanoyl]oxy}-2-methyldodecanimidate	Generator

Chemical Formula

C₃₇H₅₅N₅O₁₀

Average Mass

729.8720 Da

Monoisotopic Mass

729.39489 Da

IUPAC Name

(2S,3R)-N-[(3S)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2R)-2-({hydroxy[2-(2-hydroxyphenyl)-1,3-oxazol-4-yl]methylidene}amino)-6-(N-hydroxyacetamido)hexanoyl]oxy}-2-methyldodecanimidic acid

Traditional Name

(2S,3R)-N-[(3S)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2R)-2-({hydroxy[2-(2-hydroxyphenyl)-1,3-oxazol-4-yl]methylidene}amino)-6-(N-hydroxyacetamido)hexanoyl]oxy}-2-methyldodecanimidic acid

CAS Registry Number

Not Available

SMILES

CCCCCCCCC[C@@H](OC(=O)[C@@H](CCCCN(O)C(C)=O)N=C(O)C1=COC(=N1)C1=CC=CC=C1O)[C@H](C)C(O)=N[C@H]1CCCCN(O)C1=O

InChI Identifier

InChI=1S/C37H55N5O10/c1-4-5-6-7-8-9-10-21-32(25(2)33(45)38-28-18-13-16-23-42(50)36(28)47)52-37(48)29(19-14-15-22-41(49)26(3)43)39-34(46)30-24-51-35(40-30)27-17-11-12-20-31(27)44/h11-12,17,20,24-25,28-29,32,44,49-50H,4-10,13-16,18-19,21-23H2,1-3H3,(H,38,45)(H,39,46)/t25-,28-,29+,32+/m0/s1

InChI Key

LGOZXNLEMXJIMS-GLKSPMIPSA-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
Phenyl-1,3-oxazole
Caprolactam
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Fatty acid ester
Azepane
2,4-disubstituted 1,3-oxazole
Fatty acyl
Benzenoid
Monocyclic benzene moiety
Heteroaromatic compound
Acetohydroxamic acid
Acetamide
Oxazole
Azole
Lactam
Hydroxamic acid
Carboxylic acid ester
Oxacycle
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Monocarboxylic acid or derivatives
Carboximidic acid derivative
Carboximidic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	6.29	ChemAxon
pKa (Strongest Acidic)	4.94	ChemAxon
pKa (Strongest Basic)	1.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	218.82 Å²	ChemAxon
Rotatable Bond Count	22	ChemAxon
Refractivity	202.05 m³·mol⁻¹	ChemAxon
Polarizability	80.46 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

163023350

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,3r)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyacetamido)hexanoyl]oxy}-2-methyldodecanimidic acid (NP0301565)

MOL for NP0301565 ((2s,3r)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyacetamido)hexanoyl]oxy}-2-methyldodecanimidic acid)

3D MOL for NP0301565 ((2s,3r)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyacetamido)hexanoyl]oxy}-2-methyldodecanimidic acid)

3D SDF for NP0301565 ((2s,3r)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyacetamido)hexanoyl]oxy}-2-methyldodecanimidic acid)

3D-SDF for NP0301565 ((2s,3r)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyacetamido)hexanoyl]oxy}-2-methyldodecanimidic acid)

PDB for NP0301565 ((2s,3r)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyacetamido)hexanoyl]oxy}-2-methyldodecanimidic acid)

3D PDB for NP0301565 ((2s,3r)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyacetamido)hexanoyl]oxy}-2-methyldodecanimidic acid)

SMILES for NP0301565 ((2s,3r)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyacetamido)hexanoyl]oxy}-2-methyldodecanimidic acid)

INCHI for NP0301565 ((2s,3r)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyacetamido)hexanoyl]oxy}-2-methyldodecanimidic acid)

Structure for NP0301565 ((2s,3r)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyacetamido)hexanoyl]oxy}-2-methyldodecanimidic acid)

3D Structure for NP0301565 ((2s,3r)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyacetamido)hexanoyl]oxy}-2-methyldodecanimidic acid)