NP-MRD: Showing NP-Card for 1-[2-(2-{2-[(3-amino-10,10-dichloro-1,2-dihydroxydecylidene)amino]-n,3-dimethylbutanamido}-n,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid (NP0256705)

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Record Information

Version

2.0

Created at

2022-09-07 21:37:15 UTC

Updated at

2022-09-07 21:37:15 UTC

NP-MRD ID

NP0256705

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-[2-(2-{2-[(3-amino-10,10-dichloro-1,2-dihydroxydecylidene)amino]-n,3-dimethylbutanamido}-n,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

Description

1-[2-(2-{2-[(3-Amino-10,10-dichloro-1,2-dihydroxydecylidene)amino]-N,3-dimethylbutanamido}-N,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Based on a literature review very few articles have been published on 1-[2-(2-{2-[(3-amino-10,10-dichloro-1,2-dihydroxydecylidene)amino]-N,3-dimethylbutanamido}-N,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072223372D          

 51 52  0  0  0  0            999 V2000
    3.4524   -5.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0652   -5.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560   -4.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4616   -3.5771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6597   -2.7763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4524   -2.5475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0652   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2726   -2.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2634   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560   -1.1746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6689   -0.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8671   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2726    0.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4708    1.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8763    1.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0745    2.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4800    3.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6781    4.0881    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3127    3.0585    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8487   -3.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0468   -3.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4432   -4.4924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2450   -5.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2358   -4.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8303   -4.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6321   -5.6364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6229   -4.6068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8211   -3.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2174   -5.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0192   -5.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6137   -6.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4063   -6.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0008   -6.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8026   -7.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3971   -8.2678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0100   -7.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4155   -7.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0100   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6045   -5.5220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2082   -4.1492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6767   -3.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1127   -2.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9135   -3.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9725   -3.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6730   -4.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6456   -5.0992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4007   -3.8861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4339   -3.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2266   -3.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -2.8907    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
  2  4  1  0  0  0  0
  5  4  1  4  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  4 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 32 38  1  0  0  0  0
 30 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 41 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 25 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
M  END

     RDKit          3D

108109  0  0  0  0  0  0  0  0999 V2000
   -1.1001   -2.9531    0.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7766   -2.9499   -0.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2337   -4.0666   -1.8299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8119   -1.6342   -1.6506 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6893   -0.6964   -0.9453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.3636   -0.4607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1005   -0.8358   -0.7304 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8627   -1.9140   -1.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7711    0.1805    0.0586 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9382   -0.2547    1.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5722    0.7381    2.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8931    0.7350    2.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4071    1.7207    3.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6298    2.7379    3.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1532    3.7483    4.8266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2910    2.7615    3.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7861    1.7856    2.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8333    0.9105   -0.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    2.0047   -1.1822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2073    0.8356   -0.6968 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8577    1.9920   -1.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4240    1.1570   -2.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0782    0.0516   -1.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3833    0.1177   -0.4157 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.4543   -1.2353    0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5010   -1.9291    0.3950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7210   -1.8826    0.1787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5567   -1.0459   -1.9704 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1600   -1.0788   -3.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4135   -0.4583   -1.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2101   -0.3637    0.0985 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7071    0.0770   -1.6220 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8317   -0.0014   -0.8172 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1251   -0.6874    0.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2770   -1.6249    0.7184 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4618   -0.5688    0.8778 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8689   -1.8830    1.0730 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4555    0.1232    0.0129 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9923    1.5177   -0.2503 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7947    0.2399    0.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4159   -1.0520    1.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8099   -0.8680    1.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7489   -0.2187    0.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1056   -0.0728    1.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0977    0.5617    0.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6724    1.9399   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8847    2.6241   -1.1523 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.5324    3.0172    1.3490 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4421    1.5785   -1.9493 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2438    2.2833   -0.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6238    2.1819   -2.6672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3784   -3.9575    0.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0114   -3.0067    0.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4628   -2.1763    1.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8222   -3.2675   -0.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1367   -4.1443   -1.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6240   -5.0436   -1.4479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724   -3.9379   -2.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2973   -1.9089   -2.6633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8712   -1.5253   -1.6687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1185   -2.7331   -0.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3021   -2.3164   -2.1634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8913    0.9593    0.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8566   -0.3739    1.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333   -1.2676    1.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5782   -0.0455    2.3826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4710    1.7293    3.8087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5309    4.5947    4.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6682    3.5852    4.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7152    1.8272    2.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6170    2.3821   -0.8166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0870    2.6806   -1.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1371    1.7212   -3.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5567    0.7837   -3.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1564    0.1248   -1.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8238   -0.9094   -2.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1093    0.7697    0.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2301   -1.7774    1.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0433   -1.4915   -3.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6747   -1.7922   -3.5638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0638   -0.1135   -3.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5230   -2.3081    1.3929 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3535   -0.0487    1.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5228   -2.1272    1.9907 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8342    1.9629   -0.7264 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4671    0.7098   -0.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7116    0.9524    1.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8549   -1.5689    1.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4645   -1.7735    0.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1797   -1.8828    1.9246 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -0.2134    2.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606   -0.8543   -0.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3973    0.7928    0.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5212   -1.0475    1.6562 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0222    0.5897    2.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3219   -0.0923   -0.4787 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0511    0.7022    0.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7038    1.9473   -0.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5520    1.6938   -2.5735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    2.0102    0.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    3.3897   -0.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2696    1.9393   -0.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2864    2.5342   -3.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1032    3.0011   -2.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3711    1.3607   -2.8595 H   0  0  0  0  0  0  0  0  0  0  0  0
 50 49  1  0
 49 51  1  0
 49 32  1  0
 32 33  1  0
 33 34  2  0
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 36 37  1  0
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 28  4  1  0
  4  2  1  0
  2  1  1  0
  2  3  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
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  9 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
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 17 11  1  0
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 50103  1  0
 50104  1  0
 50105  1  0
 49102  1  0
 51106  1  0
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 51108  1  0
 32 82  1  6
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 36 84  1  1
 37 85  1  0
 38 86  1  6
 39 87  1  0
 39 88  1  0
 40 89  1  0
 40 90  1  0
 41 91  1  0
 41 92  1  0
 42 93  1  0
 42 94  1  0
 43 95  1  0
 43 96  1  0
 44 97  1  0
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 45 99  1  0
 45100  1  0
 46101  1  0
 29 79  1  0
 29 80  1  0
 29 81  1  0
  4 59  1  6
  2 55  1  0
  1 52  1  0
  1 53  1  0
  1 54  1  0
  3 56  1  0
  3 57  1  0
  3 58  1  0
  8 60  1  0
  8 61  1  0
  8 62  1  0
  9 63  1  1
 10 64  1  0
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 12 66  1  0
 13 67  1  0
 15 68  1  0
 16 69  1  0
 17 70  1  0
 21 71  1  0
 21 72  1  0
 22 73  1  0
 22 74  1  0
 23 75  1  0
 23 76  1  0
 24 77  1  1
 27 78  1  0
M  END


  Mrv1652309072223372D          

 51 52  0  0  0  0            999 V2000
    3.4524   -5.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0652   -5.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560   -4.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4616   -3.5771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6597   -2.7763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4524   -2.5475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0652   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2726   -2.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2634   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560   -1.1746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6689   -0.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8671   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2726    0.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4708    1.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8763    1.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0745    2.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4800    3.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6781    4.0881    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3127    3.0585    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8487   -3.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0468   -3.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4432   -4.4924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2450   -5.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2358   -4.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8303   -4.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6321   -5.6364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6229   -4.6068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8211   -3.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2174   -5.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0192   -5.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6137   -6.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4063   -6.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0008   -6.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8026   -7.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3971   -8.2678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0100   -7.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4155   -7.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0100   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6045   -5.5220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2082   -4.1492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6767   -3.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1127   -2.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9135   -3.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9725   -3.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6730   -4.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6456   -5.0992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4007   -3.8861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4339   -3.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2266   -3.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -2.8907    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
  2  4  1  0  0  0  0
  5  4  1  4  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  4 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 32 38  1  0  0  0  0
 30 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 41 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 25 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0256705

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C(N=C(O)C(O)C(N)CCCCCCC(Cl)Cl)C(=O)N(C)C(C(C)C)C(=O)N(C)C(CC1=CC=C(O)C=C1)C(=O)N1CCCC1C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C36H57Cl2N5O8/c1-21(2)29(40-32(46)31(45)25(39)12-9-7-8-10-14-28(37)38)34(48)42(6)30(22(3)4)35(49)41(5)27(20-23-15-17-24(44)18-16-23)33(47)43-19-11-13-26(43)36(50)51/h15-18,21-22,25-31,44-45H,7-14,19-20,39H2,1-6H3,(H,40,46)(H,50,51)

> <INCHI_KEY>
HTFQBZAJDJYYJL-UHFFFAOYSA-N

> <FORMULA>
C36H57Cl2N5O8

> <MOLECULAR_WEIGHT>
758.78

> <EXACT_MASS>
757.3584192

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
108

> <JCHEM_AVERAGE_POLARIZABILITY>
80.95013924928244

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[2-(2-{2-[(3-amino-10,10-dichloro-1,2-dihydroxydecylidene)amino]-N,3-dimethylbutanamido}-N,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

> <JCHEM_LOGP>
1.8210149179762178

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.802163339946525

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.1433733451020562

> <JCHEM_PKA_STRONGEST_BASIC>
10.095051276804131

> <JCHEM_POLAR_SURFACE_AREA>
197.29999999999998

> <JCHEM_REFRACTIVITY>
195.9179

> <JCHEM_ROTATABLE_BOND_COUNT>
20

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
1-[2-(2-{2-[(3-amino-10,10-dichloro-1,2-dihydroxydecylidene)amino]-N,3-dimethylbutanamido}-N,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       6.444 -10.308   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.855  -9.667   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.705  -7.745   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       4.595  -6.677   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       4.965  -5.182   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       6.444  -4.755   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.855  -4.115   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.376  -4.542   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.225  -2.620   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       5.705  -2.193   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       3.115  -1.552   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.485  -0.057   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.376   1.011   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.745   2.506   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.636   3.574   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.006   5.068   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.896   6.136   0.000  0.00  0.00           C+0
HETATM   19 Cl   UNK     0       1.266   7.631   0.000  0.00  0.00          Cl+0
HETATM   20 Cl   UNK     0      -0.584   5.709   0.000  0.00  0.00          Cl+0
HETATM   21  C   UNK     0       7.184  -7.318   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       7.554  -5.823   0.000  0.00  0.00           O+0
HETATM   23  N   UNK     0       8.294  -8.386   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0       7.924  -9.881   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       9.773  -7.959   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.883  -9.026   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      10.513 -10.521   0.000  0.00  0.00           O+0
HETATM   28  N   UNK     0      12.363  -8.599   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0      12.733  -7.104   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      13.472  -9.667   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      13.103 -11.162   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      14.212 -12.230   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      15.692 -11.803   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      16.801 -12.871   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      16.432 -14.365   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      17.541 -15.433   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      14.952 -14.793   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      13.842 -13.725   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      14.952  -9.240   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      16.062 -10.308   0.000  0.00  0.00           O+0
HETATM   41  N   UNK     0      15.322  -7.745   0.000  0.00  0.00           N+0
HETATM   42  C   UNK     0      14.330  -6.567   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      15.144  -5.260   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      16.639  -5.630   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      16.749  -7.166   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      18.056  -7.979   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      18.005  -9.519   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0      19.415  -7.254   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0      10.143  -6.464   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      11.623  -6.037   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       9.034  -5.396   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   21                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21    4   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   49                                                  
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   39                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   38                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37   32                                                       
CONECT   39   30   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42   45                                                  
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   41   46                                                  
CONECT   46   45   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46                                                            
CONECT   49   25   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49                                                            
MASTER        0    0    0    0    0    0    0    0   51    0  104    0
END

View in JSmol

Synonyms

Value	Source
1-[2-(2-{2-[(3-amino-10,10-dichloro-1,2-dihydroxydecylidene)amino]-N,3-dimethylbutanamido}-N,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylate	Generator

Chemical Formula

C₃₆H₅₇Cl₂N₅O₈

Average Mass

758.7800 Da

Monoisotopic Mass

757.35842 Da

IUPAC Name

1-[2-(2-{2-[(3-amino-10,10-dichloro-1,2-dihydroxydecylidene)amino]-N,3-dimethylbutanamido}-N,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

Traditional Name

1-[2-(2-{2-[(3-amino-10,10-dichloro-1,2-dihydroxydecylidene)amino]-N,3-dimethylbutanamido}-N,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

CC(C)C(N=C(O)C(O)C(N)CCCCCCC(Cl)Cl)C(=O)N(C)C(C(C)C)C(=O)N(C)C(CC1=CC=C(O)C=C1)C(=O)N1CCCC1C(O)=O

InChI Identifier

InChI=1S/C36H57Cl2N5O8/c1-21(2)29(40-32(46)31(45)25(39)12-9-7-8-10-14-28(37)38)34(48)42(6)30(22(3)4)35(49)41(5)27(20-23-15-17-24(44)18-16-23)33(47)43-19-11-13-26(43)36(50)51/h15-18,21-22,25-31,44-45H,7-14,19-20,39H2,1-6H3,(H,40,46)(H,50,51)

InChI Key

HTFQBZAJDJYYJL-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Peptidomimetics

Sub Class

Hybrid peptides

Direct Parent

Hybrid peptides

Alternative Parents

Substituents

Hybrid peptide
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Proline or derivatives
Valine or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Amphetamine or derivatives
Pyrrolidine carboxylic acid
N-acylpyrrolidine
Pyrrolidine carboxylic acid or derivatives
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
N-acyl-amine
Benzenoid
Pyrrolidine
Tertiary carboxylic acid amide
Amino acid
Carboxamide group
Secondary alcohol
Amino acid or derivatives
Carboximidic acid
Carboximidic acid derivative
Azacycle
Carboxylic acid derivative
Carboxylic acid
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Organonitrogen compound
Amine
Organic oxygen compound
Organic nitrogen compound
Alkyl halide
Alkyl chloride
Alcohol
Carbonyl group
Hydrocarbon derivative
Primary aliphatic amine
Organopnictogen compound
Organic oxide
Primary amine
Organooxygen compound
Organohalogen compound
Organochloride
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	1.82	ChemAxon
pKa (Strongest Acidic)	3.14	ChemAxon
pKa (Strongest Basic)	10.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	197.3 Å²	ChemAxon
Rotatable Bond Count	20	ChemAxon
Refractivity	195.92 m³·mol⁻¹	ChemAxon
Polarizability	80.95 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

85131373

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1-[2-(2-{2-[(3-amino-10,10-dichloro-1,2-dihydroxydecylidene)amino]-n,3-dimethylbutanamido}-n,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid (NP0256705)

MOL for NP0256705 (1-[2-(2-{2-[(3-amino-10,10-dichloro-1,2-dihydroxydecylidene)amino]-n,3-dimethylbutanamido}-n,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid)

3D MOL for NP0256705 (1-[2-(2-{2-[(3-amino-10,10-dichloro-1,2-dihydroxydecylidene)amino]-n,3-dimethylbutanamido}-n,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid)

3D SDF for NP0256705 (1-[2-(2-{2-[(3-amino-10,10-dichloro-1,2-dihydroxydecylidene)amino]-n,3-dimethylbutanamido}-n,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid)

3D-SDF for NP0256705 (1-[2-(2-{2-[(3-amino-10,10-dichloro-1,2-dihydroxydecylidene)amino]-n,3-dimethylbutanamido}-n,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid)

PDB for NP0256705 (1-[2-(2-{2-[(3-amino-10,10-dichloro-1,2-dihydroxydecylidene)amino]-n,3-dimethylbutanamido}-n,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid)

3D PDB for NP0256705 (1-[2-(2-{2-[(3-amino-10,10-dichloro-1,2-dihydroxydecylidene)amino]-n,3-dimethylbutanamido}-n,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid)

SMILES for NP0256705 (1-[2-(2-{2-[(3-amino-10,10-dichloro-1,2-dihydroxydecylidene)amino]-n,3-dimethylbutanamido}-n,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid)

INCHI for NP0256705 (1-[2-(2-{2-[(3-amino-10,10-dichloro-1,2-dihydroxydecylidene)amino]-n,3-dimethylbutanamido}-n,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid)

Structure for NP0256705 (1-[2-(2-{2-[(3-amino-10,10-dichloro-1,2-dihydroxydecylidene)amino]-n,3-dimethylbutanamido}-n,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid)

3D Structure for NP0256705 (1-[2-(2-{2-[(3-amino-10,10-dichloro-1,2-dihydroxydecylidene)amino]-n,3-dimethylbutanamido}-n,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid)