NP-MRD: Showing NP-Card for (1s,2r,3s,5s,16z,18z,20r,21s)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10,12,14(26),16,18,22-hexaen-6-yl (2s)-2-(n,3-dimethylbutanamido)propanoate (NP0258001)

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Record Information

Version

2.0

Created at

2022-09-07 23:17:26 UTC

Updated at

2022-09-07 23:17:26 UTC

NP-MRD ID

NP0258001

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2r,3s,5s,16z,18z,20r,21s)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10,12,14(26),16,18,22-hexaen-6-yl (2s)-2-(n,3-dimethylbutanamido)propanoate

Description

MAYTANVALINE belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides. (1s,2r,3s,5s,16z,18z,20r,21s)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10,12,14(26),16,18,22-hexaen-6-yl (2s)-2-(n,3-dimethylbutanamido)propanoate is found in Mallotus nudiflorus. Based on a literature review very few articles have been published on MAYTANVALINE.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082201172D          

 51 54  0  0  1  0            999 V2000
    1.9363    9.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1141    9.4491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7620    8.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0602    8.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4123    7.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0578    7.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8800    7.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2321    8.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0543    8.0932    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5482    6.5295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2659    6.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7944    5.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6116    5.8554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7717    4.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4824    4.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1969    3.7323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9114    4.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9114    4.9698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6258    3.7323    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6258    2.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3403    4.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3403    4.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0548    3.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0548    2.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7692    4.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4837    3.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1982    4.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4837    2.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9579    3.5079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7382    3.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9807    2.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2551    3.0759    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5499    2.8955    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5045    2.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3699    2.9863    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7220    3.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5442    3.8005    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3690    3.8184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0143    3.1225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6622    2.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1323    1.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8400    2.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0799    4.6497    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8548    4.3666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9971    3.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1932    5.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0350    6.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6225    6.9911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0004    7.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4324    8.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2360    7.8434    0.0000 C   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 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  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 15 29  1  0  0  0  0
 29 30  1  1  0  0  0
 29 31  1  0  0  0  0
 32 31  1  1  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 35 36  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  1  6  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 35 42  1  0  0  0  0
 37 43  1  0  0  0  0
 43 44  1  6  0  0  0
 44 45  1  0  0  0  0
 43 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
  5 51  1  0  0  0  0
M  END

     RDKit          3D

103106  0  0  0  0  0  0  0  0999 V2000
   -4.1882    6.3845    2.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9790    6.0803    1.8967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8663    4.8822    1.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.9741    1.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7709    2.7421    0.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6053    2.4312   -0.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5560    3.3308   -0.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7185    4.5357    0.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3993    5.7213    0.5850 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2508    3.2742   -0.7717 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3334    4.4558   -1.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6912    2.1704   -0.7748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4486    1.9844   -1.7587 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7898    1.2334    0.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5704   -0.0045   -0.0054 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4820    0.3261   -1.0160 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8586    0.3315   -0.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3504    0.0272    0.2125 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6975    0.6997   -2.0385 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4690   -0.3160   -3.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0949    0.8229   -1.7450 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8165    2.0470   -2.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8133   -0.2674   -1.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2315   -1.3398   -0.9297 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2610   -0.1500   -0.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7282   -1.3918   -0.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9516   -1.5596    1.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2155   -1.2027    0.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6399   -1.1611   -0.4070 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1445   -1.9424   -1.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7045   -0.7032   -0.4849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1990   -1.5296    0.6443 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8786   -2.8447    0.7247 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0267   -4.0395    0.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1479   -2.8891   -0.0974 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3333   -2.3927    0.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4793   -2.1595   -0.2675 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -2.4612   -4.2131   -0.5035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7589   -2.1545    0.5165 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5255   -3.2518    0.0459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7275   -4.1822    1.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6390   -0.9773    0.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0063   -0.1620    1.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0690    0.4153    2.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0180    1.1119    1.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7491    1.0614    2.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0422    1.9798    0.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4670    5.6393    3.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2113    7.4099    2.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9969    6.3662    1.7541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8157    4.2162    1.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5267    1.4325   -0.8066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4206    5.1361   -1.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    4.8186   -1.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7261    4.0220   -2.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2196    0.9845    0.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3805    1.7162    1.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1925   -0.3095    0.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3361    1.6734   -2.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -0.1630   -3.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1358   -0.0850   -4.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5599   -1.3440   -2.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1865    2.5300   -1.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6377    1.8051   -2.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1384    2.7443   -2.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3928    0.7469   -0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8693   -0.0496   -1.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5650   -2.2567   -0.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6359   -1.9354    1.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1005   -2.2468    0.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5273   -0.5639    1.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7728   -1.0149   -0.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3452   -0.3609    0.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5752   -2.1222    0.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6013   -2.9073   -1.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8030   -1.2938   -2.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2714   -2.1572   -2.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1968   -0.8879    1.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2442   -2.9815    1.7914 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2558   -3.6774    1.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9894   -0.7985   -0.7345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0955    0.0428    1.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2253    0.2956    3.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8765    1.3396    1.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5450    0.0513    2.9599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7976    1.8429    3.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4373    1.3775   -0.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9110    2.6867    0.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
 45 44  1  0
 44 43  1  0
 43 46  1  0
 46 47  2  0
 47 48  1  0
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 50100  1  0
 50101  1  0
 51102  1  0
 51103  1  0
  6 56  1  0
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 11 59  1  0
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 15 62  1  1
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 30 80  1  0
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 35 87  1  6
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 36 89  1  0
 38 90  1  0
 41 91  1  0
  1 52  1  0
  1 53  1  0
  1 54  1  0
  4 55  1  0
M  END


  Mrv1652309082201172D          

 51 54  0  0  1  0            999 V2000
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    1.1141    9.4491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7620    8.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0602    8.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4123    7.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0578    7.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8800    7.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2321    8.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0543    8.0932    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5482    6.5295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2659    6.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7944    5.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6116    5.8554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7717    4.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4824    4.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1969    3.7323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9114    4.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9114    4.9698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6258    3.7323    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6258    2.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3403    4.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3403    4.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0548    3.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0548    2.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7692    4.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4837    3.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1982    4.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4837    2.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9579    3.5079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7382    3.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9807    2.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2551    3.0759    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5499    2.8955    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5045    2.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3699    2.9863    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7220    3.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5442    3.8005    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3690    3.8184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0143    3.1225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6622    2.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1323    1.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8400    2.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0799    4.6497    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8548    4.3666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9971    3.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1932    5.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0350    6.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6225    6.9911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0004    7.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4324    8.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2360    7.8434    0.0000 C   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 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  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 15 29  1  0  0  0  0
 29 30  1  1  0  0  0
 29 31  1  0  0  0  0
 32 31  1  1  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 35 36  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  1  6  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 35 42  1  0  0  0  0
 37 43  1  0  0  0  0
 43 44  1  6  0  0  0
 44 45  1  0  0  0  0
 43 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
  5 51  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0258001

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@@H]1\C=C/C=C(C)\CC2=CC(N(C)C(=O)CC(OC(=O)[C@H](C)N(C)C(=O)CC(C)C)[C@]3(C)O[C@H]3[C@H](C)[C@@H]3C[C@@]1(O)N=C(O)O3)=C(Cl)C(OC)=C2

> <INCHI_IDENTIFIER>
InChI=1S/C37H52ClN3O10/c1-20(2)14-30(42)40(7)23(5)34(44)50-29-18-31(43)41(8)25-16-24(17-26(47-9)32(25)38)15-21(3)12-11-13-28(48-10)37(46)19-27(49-35(45)39-37)22(4)33-36(29,6)51-33/h11-13,16-17,20,22-23,27-29,33,46H,14-15,18-19H2,1-10H3,(H,39,45)/b13-11-,21-12-/t22-,23+,27+,28-,29?,33+,36+,37+/m1/s1

> <INCHI_KEY>
GEWFLWGDLGSWHE-WGMGKHLASA-N

> <FORMULA>
C37H52ClN3O10

> <MOLECULAR_WEIGHT>
734.28

> <EXACT_MASS>
733.3341226

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
103

> <JCHEM_AVERAGE_POLARIZABILITY>
76.73862277585454

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,3S,5S,16Z,18Z,20R,21S)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10,12,14(26),16,18,22-hexaen-6-yl (2S)-2-(N,3-dimethylbutanamido)propanoate

> <JCHEM_LOGP>
5.244926977999999

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.719515679180269

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.7486717825128864

> <JCHEM_PKA_STRONGEST_BASIC>
-1.2929478096462992

> <JCHEM_POLAR_SURFACE_AREA>
159.95999999999998

> <JCHEM_REFRACTIVITY>
190.7205

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,3S,5S,16Z,18Z,20R,21S)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10,12,14(26),16,18,22-hexaen-6-yl (2S)-2-(N,3-dimethylbutanamido)propanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       3.614  17.766   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       2.080  17.638   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.422  16.246   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.112  16.118   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.770  14.726   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.108  13.460   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.643  13.587   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.300  14.980   0.000  0.00  0.00           C+0
HETATM    9 Cl   UNK     0       3.835  15.107   0.000  0.00  0.00          Cl+0
HETATM   10  N   UNK     0       2.890  12.188   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       4.230  12.948   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.350  10.719   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       4.875  10.930   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       3.307   9.179   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.767   7.737   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       4.101   6.967   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       5.435   7.737   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       5.435   9.277   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       6.768   6.967   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.768   5.427   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0       8.102   7.737   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       8.102   9.277   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.436   6.967   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       9.436   5.427   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      10.769   7.737   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      12.103   6.967   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      13.437   7.737   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      12.103   5.427   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.788   6.548   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.245   6.048   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       1.831   5.009   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       0.476   5.742   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -1.027   5.405   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -0.942   3.867   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -2.557   5.574   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -3.214   6.967   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -4.749   7.094   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -6.289   7.128   0.000  0.00  0.00           O+0
HETATM   39  N   UNK     0      -5.627   5.829   0.000  0.00  0.00           N+0
HETATM   40  C   UNK     0      -4.969   4.436   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -5.847   3.170   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      -3.435   4.309   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      -5.749   8.680   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -7.196   8.151   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      -7.461   6.634   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -5.961  10.205   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      -5.665  11.716   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      -4.895  13.050   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      -3.734  14.061   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      -4.541  15.373   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      -2.307  14.641   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   51                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   10                                                  
CONECT    8    7    3    9                                                  
CONECT    9    8                                                            
CONECT   10    7   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   29                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   15   30   31   32                                             
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   29   33                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   42                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   39   43                                             
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   35                                                       
CONECT   43   37   44   46                                                  
CONECT   44   43   45                                                       
CONECT   45   44                                                            
CONECT   46   43   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49    5                                                       
MASTER        0    0    0    0    0    0    0    0   51    0  108    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₇H₅₂ClN₃O₁₀

Average Mass

734.2800 Da

Monoisotopic Mass

733.33412 Da

IUPAC Name

(1S,2R,3S,5S,16Z,18Z,20R,21S)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10,12,14(26),16,18,22-hexaen-6-yl (2S)-2-(N,3-dimethylbutanamido)propanoate

Traditional Name

CAS Registry Number

Not Available

SMILES

CO[C@@H]1\C=C/C=C(C)\CC2=CC(N(C)C(=O)CC(OC(=O)[C@H](C)N(C)C(=O)CC(C)C)[C@]3(C)O[C@H]3[C@H](C)[C@@H]3C[C@@]1(O)N=C(O)O3)=C(Cl)C(OC)=C2

InChI Identifier

InChI=1S/C37H52ClN3O10/c1-20(2)14-30(42)40(7)23(5)34(44)50-29-18-31(43)41(8)25-16-24(17-26(47-9)32(25)38)15-21(3)12-11-13-28(48-10)37(46)19-27(49-35(45)39-37)22(4)33-36(29,6)51-33/h11-13,16-17,20,22-23,27-29,33,46H,14-15,18-19H2,1-10H3,(H,39,45)/b13-11-,21-12-/t22-,23+,27+,28-,29?,33+,36+,37+/m1/s1

InChI Key

GEWFLWGDLGSWHE-WGMGKHLASA-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

Species Name	Source	Reference
Trewia nudiflora	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolactams

Sub Class

Not Available

Direct Parent

Macrolactams

Alternative Parents

Substituents

Macrolactam
Alpha-amino acid ester
Alanine or derivatives
Alpha-amino acid or derivatives
Anisole
Phenol ether
Alkyl aryl ether
N-acyl-amine
1,3-oxazinane
Oxazinane
Aryl chloride
Benzenoid
Aryl halide
Tertiary carboxylic acid amide
Carbamic acid ester
Carboxylic acid ester
Carboxamide group
Lactam
Alkanolamine
Oxacycle
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Dialkyl ether
Oxirane
Ether
Monocarboxylic acid or derivatives
Carbonyl group
Organooxygen compound
Hydrocarbon derivative
Organonitrogen compound
Organic nitrogen compound
Organic oxygen compound
Organochloride
Organohalogen compound
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

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

Predicted Properties

Property	Value	Source
logP	5.24	ChemAxon
pKa (Strongest Acidic)	3.75	ChemAxon
pKa (Strongest Basic)	-1.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	159.96 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	190.72 m³·mol⁻¹	ChemAxon
Polarizability	76.74 Å³	ChemAxon
Number of Rings	4	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

C00051516

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

102239693

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,2r,3s,5s,16z,18z,20r,21s)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10,12,14(26),16,18,22-hexaen-6-yl (2s)-2-(n,3-dimethylbutanamido)propanoate (NP0258001)

MOL for NP0258001 ((1s,2r,3s,5s,16z,18z,20r,21s)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10,12,14(26),16,18,22-hexaen-6-yl (2s)-2-(n,3-dimethylbutanamido)propanoate)

3D MOL for NP0258001 ((1s,2r,3s,5s,16z,18z,20r,21s)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10,12,14(26),16,18,22-hexaen-6-yl (2s)-2-(n,3-dimethylbutanamido)propanoate)

3D SDF for NP0258001 ((1s,2r,3s,5s,16z,18z,20r,21s)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10,12,14(26),16,18,22-hexaen-6-yl (2s)-2-(n,3-dimethylbutanamido)propanoate)

3D-SDF for NP0258001 ((1s,2r,3s,5s,16z,18z,20r,21s)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10,12,14(26),16,18,22-hexaen-6-yl (2s)-2-(n,3-dimethylbutanamido)propanoate)

PDB for NP0258001 ((1s,2r,3s,5s,16z,18z,20r,21s)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10,12,14(26),16,18,22-hexaen-6-yl (2s)-2-(n,3-dimethylbutanamido)propanoate)

3D PDB for NP0258001 ((1s,2r,3s,5s,16z,18z,20r,21s)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10,12,14(26),16,18,22-hexaen-6-yl (2s)-2-(n,3-dimethylbutanamido)propanoate)

SMILES for NP0258001 ((1s,2r,3s,5s,16z,18z,20r,21s)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10,12,14(26),16,18,22-hexaen-6-yl (2s)-2-(n,3-dimethylbutanamido)propanoate)

INCHI for NP0258001 ((1s,2r,3s,5s,16z,18z,20r,21s)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10,12,14(26),16,18,22-hexaen-6-yl (2s)-2-(n,3-dimethylbutanamido)propanoate)

Structure for NP0258001 ((1s,2r,3s,5s,16z,18z,20r,21s)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10,12,14(26),16,18,22-hexaen-6-yl (2s)-2-(n,3-dimethylbutanamido)propanoate)

3D Structure for NP0258001 ((1s,2r,3s,5s,16z,18z,20r,21s)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10,12,14(26),16,18,22-hexaen-6-yl (2s)-2-(n,3-dimethylbutanamido)propanoate)