NP-MRD: Showing NP-Card for Spoxazomicin A (NP0009813)

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Record Information

Version

2.0

Created at

2021-01-05 19:23:57 UTC

Updated at

2021-07-15 17:04:20 UTC

NP-MRD ID

NP0009813

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Spoxazomicin A

Provided By

NPAtlas

Description

N-{[(2S,4S)-2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]methyl}ethanimidic acid belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position. Spoxazomicin A is found in Streptomyces olivaceus, Streptosporangium and Streptosporangium oxazolinicum. Spoxazomicin A was first documented in 2011 (PMID: 21386848). Based on a literature review very few articles have been published on N-{[(2S,4S)-2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]methyl}ethanimidic acid.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306242106533D          

 44 46  0  0  0  0            999 V2000
    6.6199   -0.8428   -1.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4515   -0.1103   -0.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2726    1.0986   -1.0707 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5392   -0.7705    0.0478 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4208   -0.1046    0.6185 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4301    0.4564   -0.3825 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9285   -0.7016   -1.1846 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2065   -0.2115   -1.5075 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2132    1.2527   -0.4008 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9884    1.1916    0.5356 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9786   -0.0300    1.3892 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2909   -0.5386    1.2232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9382    0.0972    0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2499   -0.2837   -0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8054    0.4259   -1.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0204    0.0803   -1.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6934   -0.9931   -1.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1616   -1.7262   -0.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9331   -1.3622    0.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3616   -2.0908    1.2216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2242    1.0797   -0.2092 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3763    1.0410    0.3665 N   0  0  2  0  0  0  0  0  0  0  0  0
    1.8407    2.3308    0.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3303   -1.0723   -0.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0831   -0.2717   -2.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635   -1.8256   -1.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7031   -1.8010    0.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6939    0.7058    1.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8464   -0.8368    1.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750    1.1690   -1.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0120   -1.6715   -0.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4597   -0.7532   -2.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794    2.1897   -0.9686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0411    2.0793    1.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2277   -0.7872    1.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8736    0.2012    2.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2229    1.2764   -1.7586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4421    0.6695   -2.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6536   -1.2375   -1.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7188   -2.5597    0.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8973   -2.8719    1.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9366    2.4739    0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5922    2.4907    1.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483    3.1447    0.2789 H   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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 13 21  2  0  0  0  0
  9 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22  6  1  0  0  0  0
 21 10  1  0  0  0  0
 19 14  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  6  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  9 33  1  6  0  0  0
 10 34  1  1  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 20 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END

     RDKit          3D

 44 46  0  0  0  0  0  0  0  0999 V2000
    6.6199   -0.8428   -1.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4515   -0.1103   -0.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2726    1.0986   -1.0707 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5392   -0.7705    0.0478 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4208   -0.1046    0.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4301    0.4564   -0.3825 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9285   -0.7016   -1.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2065   -0.2115   -1.5075 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2132    1.2527   -0.4008 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9884    1.1916    0.5356 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9786   -0.0300    1.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2909   -0.5386    1.2232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9382    0.0972    0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2499   -0.2837   -0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8054    0.4259   -1.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0204    0.0803   -1.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6934   -0.9931   -1.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1616   -1.7262   -0.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9331   -1.3622    0.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3616   -2.0908    1.2216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2242    1.0797   -0.2092 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3763    1.0410    0.3665 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8407    2.3308    0.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3303   -1.0723   -0.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0831   -0.2717   -2.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635   -1.8256   -1.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7031   -1.8010    0.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6939    0.7058    1.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8464   -0.8368    1.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750    1.1690   -1.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0120   -1.6715   -0.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4597   -0.7532   -2.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794    2.1897   -0.9686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0411    2.0793    1.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2277   -0.7872    1.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8736    0.2012    2.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2229    1.2764   -1.7586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4421    0.6695   -2.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6536   -1.2375   -1.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7188   -2.5597    0.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8973   -2.8719    1.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9366    2.4739    0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5922    2.4907    1.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483    3.1447    0.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 13 21  2  0
  9 22  1  0
 22 23  1  0
 22  6  1  0
 21 10  1  0
 19 14  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  6
  7 31  1  0
  7 32  1  0
  9 33  1  6
 10 34  1  1
 11 35  1  0
 11 36  1  0
 15 37  1  0
 16 38  1  0
 17 39  1  0
 18 40  1  0
 20 41  1  0
 23 42  1  0
 23 43  1  0
 23 44  1  0
M  END


  Mrv1652306242106533D          

 44 46  0  0  0  0            999 V2000
    6.6199   -0.8428   -1.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4515   -0.1103   -0.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2726    1.0986   -1.0707 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5392   -0.7705    0.0478 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4208   -0.1046    0.6185 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4301    0.4564   -0.3825 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9285   -0.7016   -1.1846 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2065   -0.2115   -1.5075 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2132    1.2527   -0.4008 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9884    1.1916    0.5356 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9786   -0.0300    1.3892 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2909   -0.5386    1.2232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9382    0.0972    0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2499   -0.2837   -0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8054    0.4259   -1.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0204    0.0803   -1.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6934   -0.9931   -1.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1616   -1.7262   -0.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9331   -1.3622    0.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3616   -2.0908    1.2216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2242    1.0797   -0.2092 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3763    1.0410    0.3665 N   0  0  2  0  0  0  0  0  0  0  0  0
    1.8407    2.3308    0.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3303   -1.0723   -0.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0831   -0.2717   -2.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635   -1.8256   -1.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7031   -1.8010    0.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6939    0.7058    1.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8464   -0.8368    1.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750    1.1690   -1.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0120   -1.6715   -0.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4597   -0.7532   -2.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794    2.1897   -0.9686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0411    2.0793    1.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2277   -0.7872    1.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8736    0.2012    2.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2229    1.2764   -1.7586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4421    0.6695   -2.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6536   -1.2375   -1.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7188   -2.5597    0.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8973   -2.8719    1.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9366    2.4739    0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5922    2.4907    1.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483    3.1447    0.2789 H   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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 13 21  2  0  0  0  0
  9 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22  6  1  0  0  0  0
 21 10  1  0  0  0  0
 19 14  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  6  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  9 33  1  6  0  0  0
 10 34  1  1  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 20 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0009813

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C([H])C([H])=C([H])C([H])=C1C1=N[C@@]([H])(C([H])([H])O1)[C@]1([H])SC([H])([H])[C@@]([H])(N1C([H])([H])[H])C([H])([H])N([H])C(=O)C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C16H21N3O3S/c1-10(20)17-7-11-9-23-16(19(11)2)13-8-22-15(18-13)12-5-3-4-6-14(12)21/h3-6,11,13,16,21H,7-9H2,1-2H3,(H,17,20)/t11-,13-,16-/m0/s1

> <INCHI_KEY>
BPJOIYDCSWLARY-RBOXIYTFSA-N

> <FORMULA>
C16H21N3O3S

> <MOLECULAR_WEIGHT>
335.42

> <EXACT_MASS>
335.130362722

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
35.8677387292435

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-{[(2S,4S)-2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]methyl}acetamide

> <ALOGPS_LOGP>
0.96

> <JCHEM_LOGP>
1.8736282889999993

> <ALOGPS_LOGS>
-2.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.523556065840307

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.374326362418442

> <JCHEM_PKA_STRONGEST_BASIC>
5.062549203986078

> <JCHEM_POLAR_SURFACE_AREA>
74.16

> <JCHEM_REFRACTIVITY>
90.2065

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.10e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-{[(2S,4S)-2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]methyl}acetamide

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 44 46  0  0  0  0  0  0  0  0999 V2000
    6.6199   -0.8428   -1.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4515   -0.1103   -0.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2726    1.0986   -1.0707 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5392   -0.7705    0.0478 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4208   -0.1046    0.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4301    0.4564   -0.3825 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9285   -0.7016   -1.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2065   -0.2115   -1.5075 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2132    1.2527   -0.4008 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9884    1.1916    0.5356 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9786   -0.0300    1.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2909   -0.5386    1.2232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9382    0.0972    0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2499   -0.2837   -0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8054    0.4259   -1.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0204    0.0803   -1.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6934   -0.9931   -1.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1616   -1.7262   -0.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9331   -1.3622    0.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3616   -2.0908    1.2216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2242    1.0797   -0.2092 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3763    1.0410    0.3665 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8407    2.3308    0.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3303   -1.0723   -0.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0831   -0.2717   -2.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635   -1.8256   -1.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7031   -1.8010    0.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6939    0.7058    1.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8464   -0.8368    1.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750    1.1690   -1.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0120   -1.6715   -0.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4597   -0.7532   -2.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794    2.1897   -0.9686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0411    2.0793    1.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2277   -0.7872    1.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8736    0.2012    2.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2229    1.2764   -1.7586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4421    0.6695   -2.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6536   -1.2375   -1.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7188   -2.5597    0.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8973   -2.8719    1.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9366    2.4739    0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5922    2.4907    1.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483    3.1447    0.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 13 21  2  0
  9 22  1  0
 22 23  1  0
 22  6  1  0
 21 10  1  0
 19 14  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  6
  7 31  1  0
  7 32  1  0
  9 33  1  6
 10 34  1  1
 11 35  1  0
 11 36  1  0
 15 37  1  0
 16 38  1  0
 17 39  1  0
 18 40  1  0
 20 41  1  0
 23 42  1  0
 23 43  1  0
 23 44  1  0
M  END

HEADER    PROTEIN                                 24-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-JUN-21         0                                  
HETATM    1  C   UNK     0       6.620  -0.843  -1.395  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.452  -0.110  -0.808  0.00  0.00           C+0
HETATM    3  O   UNK     0       5.273   1.099  -1.071  0.00  0.00           O+0
HETATM    4  N   UNK     0       4.539  -0.771   0.048  0.00  0.00           N+0
HETATM    5  C   UNK     0       3.421  -0.105   0.619  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.430   0.456  -0.383  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.929  -0.702  -1.185  0.00  0.00           C+0
HETATM    8  S   UNK     0       0.207  -0.212  -1.508  0.00  0.00           S+0
HETATM    9  C   UNK     0       0.213   1.253  -0.401  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.988   1.192   0.536  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.979  -0.030   1.389  0.00  0.00           C+0
HETATM   12  O   UNK     0      -2.291  -0.539   1.223  0.00  0.00           O+0
HETATM   13  C   UNK     0      -2.938   0.097   0.199  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.250  -0.284  -0.352  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.805   0.426  -1.381  0.00  0.00           C+0
HETATM   16  C   UNK     0      -6.020   0.080  -1.898  0.00  0.00           C+0
HETATM   17  C   UNK     0      -6.693  -0.993  -1.379  0.00  0.00           C+0
HETATM   18  C   UNK     0      -6.162  -1.726  -0.345  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.933  -1.362   0.165  0.00  0.00           C+0
HETATM   20  O   UNK     0      -4.362  -2.091   1.222  0.00  0.00           O+0
HETATM   21  N   UNK     0      -2.224   1.080  -0.209  0.00  0.00           N+0
HETATM   22  N   UNK     0       1.376   1.041   0.367  0.00  0.00           N+0
HETATM   23  C   UNK     0       1.841   2.331   0.847  0.00  0.00           C+0
HETATM   24  H   UNK     0       7.330  -1.072  -0.582  0.00  0.00           H+0
HETATM   25  H   UNK     0       7.083  -0.272  -2.204  0.00  0.00           H+0
HETATM   26  H   UNK     0       6.263  -1.826  -1.799  0.00  0.00           H+0
HETATM   27  H   UNK     0       4.703  -1.801   0.267  0.00  0.00           H+0
HETATM   28  H   UNK     0       3.694   0.706   1.327  0.00  0.00           H+0
HETATM   29  H   UNK     0       2.846  -0.837   1.258  0.00  0.00           H+0
HETATM   30  H   UNK     0       2.975   1.169  -1.028  0.00  0.00           H+0
HETATM   31  H   UNK     0       2.012  -1.672  -0.700  0.00  0.00           H+0
HETATM   32  H   UNK     0       2.460  -0.753  -2.158  0.00  0.00           H+0
HETATM   33  H   UNK     0       0.179   2.190  -0.969  0.00  0.00           H+0
HETATM   34  H   UNK     0      -1.041   2.079   1.171  0.00  0.00           H+0
HETATM   35  H   UNK     0      -0.228  -0.787   1.081  0.00  0.00           H+0
HETATM   36  H   UNK     0      -0.874   0.201   2.485  0.00  0.00           H+0
HETATM   37  H   UNK     0      -4.223   1.276  -1.759  0.00  0.00           H+0
HETATM   38  H   UNK     0      -6.442   0.670  -2.725  0.00  0.00           H+0
HETATM   39  H   UNK     0      -7.654  -1.238  -1.813  0.00  0.00           H+0
HETATM   40  H   UNK     0      -6.719  -2.560   0.035  0.00  0.00           H+0
HETATM   41  H   UNK     0      -4.897  -2.872   1.568  0.00  0.00           H+0
HETATM   42  H   UNK     0       2.937   2.474   0.661  0.00  0.00           H+0
HETATM   43  H   UNK     0       1.592   2.491   1.912  0.00  0.00           H+0
HETATM   44  H   UNK     0       1.348   3.145   0.279  0.00  0.00           H+0
CONECT    1    2   24   25   26                                             
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   27                                                  
CONECT    5    4    6   28   29                                             
CONECT    6    5    7   22   30                                             
CONECT    7    6    8   31   32                                             
CONECT    8    7    9                                                       
CONECT    9    8   10   22   33                                             
CONECT   10    9   11   21   34                                             
CONECT   11   10   12   35   36                                             
CONECT   12   11   13                                                       
CONECT   13   12   14   21                                                  
CONECT   14   13   15   19                                                  
CONECT   15   14   16   37                                                  
CONECT   16   15   17   38                                                  
CONECT   17   16   18   39                                                  
CONECT   18   17   19   40                                                  
CONECT   19   18   20   14                                                  
CONECT   20   19   41                                                       
CONECT   21   13   10                                                       
CONECT   22    9   23    6                                                  
CONECT   23   22   42   43   44                                             
CONECT   24    1                                                            
CONECT   25    1                                                            
CONECT   26    1                                                            
CONECT   27    4                                                            
CONECT   28    5                                                            
CONECT   29    5                                                            
CONECT   30    6                                                            
CONECT   31    7                                                            
CONECT   32    7                                                            
CONECT   33    9                                                            
CONECT   34   10                                                            
CONECT   35   11                                                            
CONECT   36   11                                                            
CONECT   37   15                                                            
CONECT   38   16                                                            
CONECT   39   17                                                            
CONECT   40   18                                                            
CONECT   41   20                                                            
CONECT   42   23                                                            
CONECT   43   23                                                            
CONECT   44   23                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   92    0
END

RDKit          3D

44 46  0  0  0  0  0  0  0  0999 V2000
    6.6199   -0.8428   -1.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4515   -0.1103   -0.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2726    1.0986   -1.0707 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5392   -0.7705    0.0478 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4208   -0.1046    0.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4301    0.4564   -0.3825 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9285   -0.7016   -1.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2065   -0.2115   -1.5075 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2132    1.2527   -0.4008 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9884    1.1916    0.5356 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9786   -0.0300    1.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2909   -0.5386    1.2232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9382    0.0972    0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2499   -0.2837   -0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8054    0.4259   -1.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0204    0.0803   -1.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6934   -0.9931   -1.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1616   -1.7262   -0.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9331   -1.3622    0.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3616   -2.0908    1.2216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2242    1.0797   -0.2092 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3763    1.0410    0.3665 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8407    2.3308    0.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3303   -1.0723   -0.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0831   -0.2717   -2.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635   -1.8256   -1.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7031   -1.8010    0.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6939    0.7058    1.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8464   -0.8368    1.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750    1.1690   -1.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0120   -1.6715   -0.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4597   -0.7532   -2.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794    2.1897   -0.9686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0411    2.0793    1.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2277   -0.7872    1.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8736    0.2012    2.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2229    1.2764   -1.7586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4421    0.6695   -2.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6536   -1.2375   -1.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7188   -2.5597    0.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8973   -2.8719    1.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9366    2.4739    0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5922    2.4907    1.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483    3.1447    0.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 13 21  2  0
  9 22  1  0
 22 23  1  0
 22  6  1  0
 21 10  1  0
 19 14  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  6
  7 31  1  0
  7 32  1  0
  9 33  1  6
 10 34  1  1
 11 35  1  0
 11 36  1  0
 15 37  1  0
 16 38  1  0
 17 39  1  0
 18 40  1  0
 20 41  1  0
 23 42  1  0
 23 43  1  0
 23 44  1  0
M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
N-{[(2S,4S)-2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]methyl}ethanimidate	Generator

Chemical Formula

C₁₆H₂₁N₃O₃S

Average Mass

335.4200 Da

Monoisotopic Mass

335.13036 Da

IUPAC Name

N-{[(2S,4S)-2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]methyl}acetamide

Traditional Name

N-{[(2S,4S)-2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]methyl}acetamide

CAS Registry Number

Not Available

SMILES

CN1[C@@H](CNC(C)=O)CS[C@H]1[C@@H]1COC(=N1)C1=CC=CC=C1O

InChI Identifier

InChI=1S/C16H21N3O3S/c1-10(20)17-7-11-9-23-16(19(11)2)13-8-22-15(18-13)12-5-3-4-6-14(12)21/h3-6,11,13,16,21H,7-9H2,1-2H3,(H,17,20)/t11-,13-,16-/m0/s1

InChI Key

BPJOIYDCSWLARY-RBOXIYTFSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Streptomyces olivaceus	LOTUS Database	35616633
Streptosporangium	NPAtlas	21386848
Streptosporangium oxazolinicum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Phenols

Sub Class

1-hydroxy-4-unsubstituted benzenoids

Direct Parent

1-hydroxy-4-unsubstituted benzenoids

Alternative Parents

Substituents

1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Thiazolidine
Oxazoline
Acetamide
Carboxamide group
Secondary carboxylic acid amide
Azacycle
Oxacycle
Organoheterocyclic compound
Dialkylthioether
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Hemithioaminal
Thioether
Carboxylic acid derivative
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Organic oxygen 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	0.96	ALOGPS
logP	1.87	ChemAxon
logS	-2.9	ALOGPS
pKa (Strongest Acidic)	10.37	ChemAxon
pKa (Strongest Basic)	5.06	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	74.16 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	90.21 m³·mol⁻¹	ChemAxon
Polarizability	35.87 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

NPAtlas ID

NPA003911

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

28288733

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

136065870

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Inahashi Y, Iwatsuki M, Ishiyama A, Namatame M, Nishihara-Tsukashima A, Matsumoto A, Hirose T, Sunazuka T, Yamada H, Otoguro K, Takahashi Y, Omura S, Shiomi K: Spoxazomicins A-C, novel antitrypanosomal alkaloids produced by an endophytic actinomycete, Streptosporangium oxazolinicum K07-0460(T). J Antibiot (Tokyo). 2011 Apr;64(4):303-7. doi: 10.1038/ja.2011.16. Epub 2011 Mar 9. [PubMed:21386848 ]

Showing NP-Card for Spoxazomicin A (NP0009813)

MOL for NP0009813 (Spoxazomicin A)

3D MOL for NP0009813 (Spoxazomicin A)

3D SDF for NP0009813 (Spoxazomicin A)

3D-SDF for NP0009813 (Spoxazomicin A)

PDB for NP0009813 (Spoxazomicin A)

3D PDB for NP0009813 (Spoxazomicin A)

SMILES for NP0009813 (Spoxazomicin A)

INCHI for NP0009813 (Spoxazomicin A)

Structure for NP0009813 (Spoxazomicin A)

3D Structure for NP0009813 (Spoxazomicin A)