NP-MRD: Showing NP-Card for JBIR-35 (NP0008991)

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Record Information

Version

2.0

Created at

2020-12-09 06:27:54 UTC

Updated at

2021-07-15 17:02:00 UTC

NP-MRD ID

NP0008991

Secondary Accession Numbers

None

Natural Product Identification

Common Name

JBIR-35

Provided By

NPAtlas

Description

JBIR-35 is found in Streptomyces sp. Sp080513GE-23. JBIR-35 was first documented in 2010 (PMID: 20146504). Based on a literature review very few articles have been published on (2S)-2-{[(2R)-2-({[(4R)-2-(6-chloro-4-hydroxy-1-methyl-1H-indol-3-yl)-4-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-1-hydroxypropylidene]amino}-3-hydroxypropanoic acid.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306242106313D          

 55 57  0  0  0  0            999 V2000
    3.4218   -2.7217    0.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7030   -1.5391   -0.1179 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9208   -0.8819    0.9077 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5108   -0.7775    0.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1182   -1.2632   -0.1444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2810   -0.0899    1.8942 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0190   -0.6175    3.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0438    1.4154    1.8344 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0597    1.7476    0.8714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1191    0.8719    1.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4726    1.2245    0.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8638    2.3951   -0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1749    2.3975   -0.2724 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9729    3.4314   -0.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6374    1.2220    0.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9126    0.6905    0.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1417   -0.5475    0.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7635   -1.2352    0.8098 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.1166   -1.2759    1.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8150   -0.7656    1.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8113   -1.5383    1.8871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6040    0.4714    0.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6849   -0.1643    1.6387 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7224   -0.6104   -0.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7704    0.5525   -0.2248 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6197   -0.9826   -1.7110 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5746   -0.0303   -2.2053 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9769   -0.5428   -2.0280 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1706   -1.7369   -2.7210 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2766    0.3120   -3.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2931   -0.2420   -4.1676 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600    1.2189   -4.3211 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3596   -2.8790   -0.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5942   -2.4425    1.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7516   -3.6175    0.5505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0537   -1.8725   -0.9386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4002   -0.4728    1.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9112   -0.9241    3.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    0.1965    3.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6938   -1.4940    3.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3240    1.9077    2.7784 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648    1.6835    1.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2006    3.2154   -0.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3497    4.1556   -0.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3330    3.9486   -1.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8279    2.9866   -1.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7067    1.2626   -0.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2590   -2.2355    1.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0142   -2.4299    2.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5957   -1.9478   -2.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5041    0.9497   -1.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7334    0.2124   -2.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0827   -0.7900   -0.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4504   -1.5454   -3.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7575    1.7444   -3.8073 H   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  2  0  0  0  0
  6  4  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 10 23  2  0  0  0  0
  2 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 23  6  1  0  0  0  0
 22 11  1  0  0  0  0
 22 15  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2 36  1  6  0  0  0
  3 37  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
 12 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 16 47  1  0  0  0  0
 19 48  1  0  0  0  0
 21 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  1  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
 32 55  1  0  0  0  0
M  END

     RDKit          3D

 55 57  0  0  0  0  0  0  0  0999 V2000
    3.4218   -2.7217    0.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7030   -1.5391   -0.1179 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9208   -0.8819    0.9077 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5108   -0.7775    0.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1182   -1.2632   -0.1444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2810   -0.0899    1.8942 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0190   -0.6175    3.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0438    1.4154    1.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0597    1.7476    0.8714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1191    0.8719    1.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4726    1.2245    0.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8638    2.3951   -0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1749    2.3975   -0.2724 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9729    3.4314   -0.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6374    1.2220    0.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9126    0.6905    0.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1417   -0.5475    0.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7635   -1.2352    0.8098 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.1166   -1.2759    1.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8150   -0.7656    1.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8113   -1.5383    1.8871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6040    0.4714    0.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6849   -0.1643    1.6387 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7224   -0.6104   -0.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7704    0.5525   -0.2248 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6197   -0.9826   -1.7110 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5746   -0.0303   -2.2053 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9769   -0.5428   -2.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1706   -1.7369   -2.7210 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2766    0.3120   -3.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2931   -0.2420   -4.1676 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600    1.2189   -4.3211 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3596   -2.8790   -0.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5942   -2.4425    1.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7516   -3.6175    0.5505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0537   -1.8725   -0.9386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4002   -0.4728    1.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9112   -0.9241    3.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    0.1965    3.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6938   -1.4940    3.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3240    1.9077    2.7784 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648    1.6835    1.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2006    3.2154   -0.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3497    4.1556   -0.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3330    3.9486   -1.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8279    2.9866   -1.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7067    1.2626   -0.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2590   -2.2355    1.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0142   -2.4299    2.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5957   -1.9478   -2.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5041    0.9497   -1.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7334    0.2124   -2.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0827   -0.7900   -0.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4504   -1.5454   -3.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7575    1.7444   -3.8073 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  2  0
  6  4  1  6
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 10 23  2  0
  2 24  1  0
 24 25  2  0
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 27 28  1  0
 28 29  1  0
 27 30  1  0
 30 31  2  0
 30 32  1  0
 23  6  1  0
 22 11  1  0
 22 15  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  2 36  1  6
  3 37  1  0
  7 38  1  0
  7 39  1  0
  7 40  1  0
  8 41  1  0
  8 42  1  0
 12 43  1  0
 14 44  1  0
 14 45  1  0
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 16 47  1  0
 19 48  1  0
 21 49  1  0
 26 50  1  0
 27 51  1  1
 28 52  1  0
 28 53  1  0
 29 54  1  0
 32 55  1  0
M  END


  Mrv1652306242106313D          

 55 57  0  0  0  0            999 V2000
    3.4218   -2.7217    0.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7030   -1.5391   -0.1179 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9208   -0.8819    0.9077 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5108   -0.7775    0.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1182   -1.2632   -0.1444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2810   -0.0899    1.8942 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0190   -0.6175    3.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0438    1.4154    1.8344 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0597    1.7476    0.8714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1191    0.8719    1.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4726    1.2245    0.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8638    2.3951   -0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1749    2.3975   -0.2724 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9729    3.4314   -0.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6374    1.2220    0.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9126    0.6905    0.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1417   -0.5475    0.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7635   -1.2352    0.8098 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.1166   -1.2759    1.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8150   -0.7656    1.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8113   -1.5383    1.8871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6040    0.4714    0.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6849   -0.1643    1.6387 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7224   -0.6104   -0.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7704    0.5525   -0.2248 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6197   -0.9826   -1.7110 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5746   -0.0303   -2.2053 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9769   -0.5428   -2.0280 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1706   -1.7369   -2.7210 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2766    0.3120   -3.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2931   -0.2420   -4.1676 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600    1.2189   -4.3211 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3596   -2.8790   -0.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5942   -2.4425    1.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7516   -3.6175    0.5505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0537   -1.8725   -0.9386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4002   -0.4728    1.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9112   -0.9241    3.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    0.1965    3.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6938   -1.4940    3.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3240    1.9077    2.7784 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648    1.6835    1.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2006    3.2154   -0.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3497    4.1556   -0.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3330    3.9486   -1.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8279    2.9866   -1.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7067    1.2626   -0.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2590   -2.2355    1.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0142   -2.4299    2.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5957   -1.9478   -2.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5041    0.9497   -1.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7334    0.2124   -2.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0827   -0.7900   -0.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4504   -1.5454   -3.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7575    1.7444   -3.8073 H   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  2  0  0  0  0
  6  4  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 10 23  2  0  0  0  0
  2 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 23  6  1  0  0  0  0
 22 11  1  0  0  0  0
 22 15  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2 36  1  6  0  0  0
  3 37  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
 12 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 16 47  1  0  0  0  0
 19 48  1  0  0  0  0
 21 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  1  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
 32 55  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0008991

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]1(N=C(OC1([H])[H])C1=C([H])N(C2=C([H])C(Cl)=C([H])C(O[H])=C12)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H]

> <INCHI_IDENTIFIER>
InChI=1S/C20H23ClN4O7/c1-9(16(28)23-12(7-26)18(29)30)22-19(31)20(2)8-32-17(24-20)11-6-25(3)13-4-10(21)5-14(27)15(11)13/h4-6,9,12,26-27H,7-8H2,1-3H3,(H,22,31)(H,23,28)(H,29,30)/t9-,12+,20-/m1/s1

> <INCHI_KEY>
NKNDHRJPCHKCQG-GNGCRJPWSA-N

> <FORMULA>
C20H23ClN4O7

> <MOLECULAR_WEIGHT>
466.88

> <EXACT_MASS>
466.1255268

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
46.59567584291585

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S)-2-[(2R)-2-{[(4R)-2-(6-chloro-4-hydroxy-1-methyl-1H-indol-3-yl)-4-methyl-4,5-dihydro-1,3-oxazol-4-yl]formamido}propanamido]-3-hydroxypropanoic acid

> <ALOGPS_LOGP>
1.40

> <JCHEM_LOGP>
0.4341436829999996

> <ALOGPS_LOGS>
-3.27

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.737032510857141

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.49690880537094

> <JCHEM_PKA_STRONGEST_BASIC>
-0.21809723138575554

> <JCHEM_POLAR_SURFACE_AREA>
162.48

> <JCHEM_REFRACTIVITY>
112.78759999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.52e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2R)-2-{[(4R)-2-(6-chloro-4-hydroxy-1-methylindol-3-yl)-4-methyl-5H-1,3-oxazol-4-yl]formamido}propanamido]-3-hydroxypropanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 55 57  0  0  0  0  0  0  0  0999 V2000
    3.4218   -2.7217    0.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7030   -1.5391   -0.1179 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9208   -0.8819    0.9077 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5108   -0.7775    0.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1182   -1.2632   -0.1444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2810   -0.0899    1.8942 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0190   -0.6175    3.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0438    1.4154    1.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0597    1.7476    0.8714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1191    0.8719    1.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4726    1.2245    0.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8638    2.3951   -0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1749    2.3975   -0.2724 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9729    3.4314   -0.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6374    1.2220    0.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9126    0.6905    0.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1417   -0.5475    0.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7635   -1.2352    0.8098 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.1166   -1.2759    1.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8150   -0.7656    1.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8113   -1.5383    1.8871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6040    0.4714    0.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6849   -0.1643    1.6387 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7224   -0.6104   -0.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7704    0.5525   -0.2248 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6197   -0.9826   -1.7110 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5746   -0.0303   -2.2053 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9769   -0.5428   -2.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1706   -1.7369   -2.7210 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2766    0.3120   -3.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2931   -0.2420   -4.1676 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600    1.2189   -4.3211 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3596   -2.8790   -0.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5942   -2.4425    1.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7516   -3.6175    0.5505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0537   -1.8725   -0.9386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4002   -0.4728    1.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9112   -0.9241    3.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    0.1965    3.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6938   -1.4940    3.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3240    1.9077    2.7784 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648    1.6835    1.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2006    3.2154   -0.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3497    4.1556   -0.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3330    3.9486   -1.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8279    2.9866   -1.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7067    1.2626   -0.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2590   -2.2355    1.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0142   -2.4299    2.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5957   -1.9478   -2.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5041    0.9497   -1.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7334    0.2124   -2.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0827   -0.7900   -0.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4504   -1.5454   -3.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7575    1.7444   -3.8073 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  2  0
  6  4  1  6
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 10 23  2  0
  2 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 27 30  1  0
 30 31  2  0
 30 32  1  0
 23  6  1  0
 22 11  1  0
 22 15  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  2 36  1  6
  3 37  1  0
  7 38  1  0
  7 39  1  0
  7 40  1  0
  8 41  1  0
  8 42  1  0
 12 43  1  0
 14 44  1  0
 14 45  1  0
 14 46  1  0
 16 47  1  0
 19 48  1  0
 21 49  1  0
 26 50  1  0
 27 51  1  1
 28 52  1  0
 28 53  1  0
 29 54  1  0
 32 55  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       3.422  -2.722   0.522  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.703  -1.539  -0.118  0.00  0.00           C+0
HETATM    3  N   UNK     0       1.921  -0.882   0.908  0.00  0.00           N+0
HETATM    4  C   UNK     0       0.511  -0.778   0.830  0.00  0.00           C+0
HETATM    5  O   UNK     0      -0.118  -1.263  -0.144  0.00  0.00           O+0
HETATM    6  C   UNK     0      -0.281  -0.090   1.894  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.019  -0.618   3.252  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.044   1.415   1.834  0.00  0.00           C+0
HETATM    9  O   UNK     0      -1.060   1.748   0.871  0.00  0.00           O+0
HETATM   10  C   UNK     0      -2.119   0.872   1.063  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.473   1.224   0.620  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.864   2.395  -0.019  0.00  0.00           C+0
HETATM   13  N   UNK     0      -5.175   2.397  -0.272  0.00  0.00           N+0
HETATM   14  C   UNK     0      -5.973   3.431  -0.924  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.637   1.222   0.205  0.00  0.00           C+0
HETATM   16  C   UNK     0      -6.913   0.691   0.222  0.00  0.00           C+0
HETATM   17  C   UNK     0      -7.142  -0.548   0.780  0.00  0.00           C+0
HETATM   18 Cl   UNK     0      -8.764  -1.235   0.810  0.00  0.00          Cl+0
HETATM   19  C   UNK     0      -6.117  -1.276   1.327  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.815  -0.766   1.325  0.00  0.00           C+0
HETATM   21  O   UNK     0      -3.811  -1.538   1.887  0.00  0.00           O+0
HETATM   22  C   UNK     0      -4.604   0.471   0.765  0.00  0.00           C+0
HETATM   23  N   UNK     0      -1.685  -0.164   1.639  0.00  0.00           N+0
HETATM   24  C   UNK     0       3.722  -0.610  -0.688  0.00  0.00           C+0
HETATM   25  O   UNK     0       3.770   0.553  -0.225  0.00  0.00           O+0
HETATM   26  N   UNK     0       4.620  -0.983  -1.711  0.00  0.00           N+0
HETATM   27  C   UNK     0       5.575  -0.030  -2.205  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.977  -0.543  -2.028  0.00  0.00           C+0
HETATM   29  O   UNK     0       7.171  -1.737  -2.721  0.00  0.00           O+0
HETATM   30  C   UNK     0       5.277   0.312  -3.619  0.00  0.00           C+0
HETATM   31  O   UNK     0       4.293  -0.242  -4.168  0.00  0.00           O+0
HETATM   32  O   UNK     0       6.060   1.219  -4.321  0.00  0.00           O+0
HETATM   33  H   UNK     0       4.360  -2.879  -0.009  0.00  0.00           H+0
HETATM   34  H   UNK     0       3.594  -2.442   1.591  0.00  0.00           H+0
HETATM   35  H   UNK     0       2.752  -3.618   0.551  0.00  0.00           H+0
HETATM   36  H   UNK     0       2.054  -1.873  -0.939  0.00  0.00           H+0
HETATM   37  H   UNK     0       2.400  -0.473   1.728  0.00  0.00           H+0
HETATM   38  H   UNK     0      -0.911  -0.924   3.753  0.00  0.00           H+0
HETATM   39  H   UNK     0       0.538   0.197   3.834  0.00  0.00           H+0
HETATM   40  H   UNK     0       0.694  -1.494   3.260  0.00  0.00           H+0
HETATM   41  H   UNK     0      -0.324   1.908   2.778  0.00  0.00           H+0
HETATM   42  H   UNK     0       0.965   1.684   1.498  0.00  0.00           H+0
HETATM   43  H   UNK     0      -3.201   3.215  -0.286  0.00  0.00           H+0
HETATM   44  H   UNK     0      -6.350   4.156  -0.199  0.00  0.00           H+0
HETATM   45  H   UNK     0      -5.333   3.949  -1.676  0.00  0.00           H+0
HETATM   46  H   UNK     0      -6.828   2.987  -1.489  0.00  0.00           H+0
HETATM   47  H   UNK     0      -7.707   1.263  -0.206  0.00  0.00           H+0
HETATM   48  H   UNK     0      -6.259  -2.236   1.767  0.00  0.00           H+0
HETATM   49  H   UNK     0      -4.014  -2.430   2.307  0.00  0.00           H+0
HETATM   50  H   UNK     0       4.596  -1.948  -2.113  0.00  0.00           H+0
HETATM   51  H   UNK     0       5.504   0.950  -1.656  0.00  0.00           H+0
HETATM   52  H   UNK     0       7.733   0.212  -2.298  0.00  0.00           H+0
HETATM   53  H   UNK     0       7.083  -0.790  -0.937  0.00  0.00           H+0
HETATM   54  H   UNK     0       7.450  -1.545  -3.656  0.00  0.00           H+0
HETATM   55  H   UNK     0       6.758   1.744  -3.807  0.00  0.00           H+0
CONECT    1    2   33   34   35                                             
CONECT    2    1    3   24   36                                             
CONECT    3    2    4   37                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8   23                                             
CONECT    7    6   38   39   40                                             
CONECT    8    6    9   41   42                                             
CONECT    9    8   10                                                       
CONECT   10    9   11   23                                                  
CONECT   11   10   12   22                                                  
CONECT   12   11   13   43                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13   44   45   46                                             
CONECT   15   13   16   22                                                  
CONECT   16   15   17   47                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   48                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20   49                                                       
CONECT   22   20   11   15                                                  
CONECT   23   10    6                                                       
CONECT   24    2   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   50                                                  
CONECT   27   26   28   30   51                                             
CONECT   28   27   29   52   53                                             
CONECT   29   28   54                                                       
CONECT   30   27   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   55                                                       
CONECT   33    1                                                            
CONECT   34    1                                                            
CONECT   35    1                                                            
CONECT   36    2                                                            
CONECT   37    3                                                            
CONECT   38    7                                                            
CONECT   39    7                                                            
CONECT   40    7                                                            
CONECT   41    8                                                            
CONECT   42    8                                                            
CONECT   43   12                                                            
CONECT   44   14                                                            
CONECT   45   14                                                            
CONECT   46   14                                                            
CONECT   47   16                                                            
CONECT   48   19                                                            
CONECT   49   21                                                            
CONECT   50   26                                                            
CONECT   51   27                                                            
CONECT   52   28                                                            
CONECT   53   28                                                            
CONECT   54   29                                                            
CONECT   55   32                                                            
MASTER        0    0    0    0    0    0    0    0   55    0  114    0
END

RDKit          3D

55 57  0  0  0  0  0  0  0  0999 V2000
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   -6.8279    2.9866   -1.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7575    1.7444   -3.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
(2S)-2-{[(2R)-2-({[(4R)-2-(6-chloro-4-hydroxy-1-methyl-1H-indol-3-yl)-4-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-1-hydroxypropylidene]amino}-3-hydroxypropanoate	Generator

Chemical Formula

C₂₀H₂₃ClN₄O₇

Average Mass

466.8800 Da

Monoisotopic Mass

466.12553 Da

IUPAC Name

(2S)-2-[(2R)-2-{[(4R)-2-(6-chloro-4-hydroxy-1-methyl-1H-indol-3-yl)-4-methyl-4,5-dihydro-1,3-oxazol-4-yl]formamido}propanamido]-3-hydroxypropanoic acid

Traditional Name

(2S)-2-[(2R)-2-{[(4R)-2-(6-chloro-4-hydroxy-1-methylindol-3-yl)-4-methyl-5H-1,3-oxazol-4-yl]formamido}propanamido]-3-hydroxypropanoic acid

CAS Registry Number

Not Available

SMILES

C[C@@H](NC(=O)[C@@]1(C)COC(=N1)C1=CN(C)C2=CC(Cl)=CC(O)=C12)C(=O)N[C@@H](CO)C(O)=O

InChI Identifier

InChI=1S/C20H23ClN4O7/c1-9(16(28)23-12(7-26)18(29)30)22-19(31)20(2)8-32-17(24-20)11-6-25(3)13-4-10(21)5-14(27)15(11)13/h4-6,9,12,26-27H,7-8H2,1-3H3,(H,22,31)(H,23,28)(H,29,30)/t9-,12+,20-/m1/s1

InChI Key

NKNDHRJPCHKCQG-GNGCRJPWSA-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 sp. Sp080513GE-23	NPAtlas	20146504

Chemical Taxonomy

Classification

Not classified

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	1.4	ALOGPS
logP	0.43	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	3.5	ChemAxon
pKa (Strongest Basic)	-0.22	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	162.48 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	112.79 m³·mol⁻¹	ChemAxon
Polarizability	46.6 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	Yes	ChemAxon

External Links

NPAtlas ID

NPA018112

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

24660662

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

46182909

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Motohashi K, Takagi M, Shin-Ya K: Tetrapeptides possessing a unique skeleton, JBIR-34 and JBIR-35, isolated from a sponge-derived actinomycete, Streptomyces sp. Sp080513GE-23. J Nat Prod. 2010 Feb 26;73(2):226-8. doi: 10.1021/np900810r. [PubMed:20146504 ]

Showing NP-Card for JBIR-35 (NP0008991)

MOL for NP0008991 (JBIR-35)

3D MOL for NP0008991 (JBIR-35)

3D SDF for NP0008991 (JBIR-35)

3D-SDF for NP0008991 (JBIR-35)

PDB for NP0008991 (JBIR-35)

3D PDB for NP0008991 (JBIR-35)

SMILES for NP0008991 (JBIR-35)

INCHI for NP0008991 (JBIR-35)

Structure for NP0008991 (JBIR-35)

3D Structure for NP0008991 (JBIR-35)