NP-MRD: Showing NP-Card for (3s)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyformamido)hexanoyl]oxy}-2,2-dimethyldecanimidic acid (NP0176679)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-03 14:23:13 UTC

Updated at

2022-09-03 14:23:14 UTC

NP-MRD ID

NP0176679

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3s)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyformamido)hexanoyl]oxy}-2,2-dimethyldecanimidic acid

Description

Amamistatin B belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. It was first documented in 2007 (PMID: 17397173). Based on a literature review a small amount of articles have been published on Amamistatin B (PMID: 35422885) (PMID: 21315591) (PMID: 18173285).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032216232D          

 51 53  0  0  1  0            999 V2000
   -4.2258   -2.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4156   -2.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8755   -3.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0654   -2.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5253   -3.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7152   -3.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1751   -4.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6350   -3.8753    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1751   -4.4989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9853   -4.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2553   -3.5634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5254   -4.9666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2553   -5.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7954   -6.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5254   -7.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0654   -7.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7954   -8.5526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9853   -8.7085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3355   -9.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0654   -9.9558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3355   -4.8107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8756   -5.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6055   -6.2139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6857   -5.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0358   -4.5314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8544   -4.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4182   -4.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1785   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7422   -2.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5457   -2.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7855   -3.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2217   -4.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4614   -5.0076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0103   -5.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2880   -5.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1860   -6.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9051   -3.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6846   -3.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1255   -2.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1751   -2.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9853   -2.1602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6350   -1.6925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9051   -0.9130    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3199   -0.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4097    0.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1069    0.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8864    0.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1613   -0.1181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9814   -0.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7246   -0.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1657   -1.5152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  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
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 12 21  1  6  0  0  0
 21 22  2  0  0  0  0
 22 23  1  4  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 26 34  1  0  0  0  0
 34 35  1  0  0  0  0
 24 35  2  0  0  0  0
 35 36  1  0  0  0  0
  8 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  1  0  0  0  0
 40 41  1  4  0  0  0
 40 42  2  0  0  0  0
 43 42  1  1  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 43 50  1  0  0  0  0
 50 51  2  0  0  0  0
M  END

     RDKit          3D

104106  0  0  0  0  0  0  0  0999 V2000
   -2.5160    6.0528   -2.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9796    6.1663   -2.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8691    5.0120   -1.9411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8625    4.4316   -0.5864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5848    3.7750   -0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2809    2.5902   -1.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0081    1.9133   -0.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9470    1.2744    0.6282 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5618    0.7845    0.7472 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2399    1.2838    1.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1476    2.1373    2.5753 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6624    0.7956    1.8802 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6540    0.0391    3.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0556   -0.4691    3.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1646   -1.2444    4.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8278   -0.3557    5.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7609    0.7594    5.8509 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4983    1.9107    5.1883 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9660    0.6395    6.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7761    1.6059    6.5645 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9684   -0.0277    0.8727 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3444   -0.6789   -0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6093   -1.8562   -0.3813 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4994   -0.3996   -0.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9029   -1.1699   -1.9557 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875   -0.6649   -2.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7360   -1.1657   -3.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8553   -0.4403   -4.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6156   -0.8483   -5.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2976   -1.9857   -5.8817 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2022   -2.7173   -5.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4366   -2.2954   -4.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3643   -3.0747   -4.0604 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2668    0.4238   -1.8554 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4194    0.6184   -0.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4116    1.7450    0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7981    0.0704    0.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4941   -0.3713    2.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2707    0.3109    0.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4593   -1.0655   -0.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5248   -0.9111   -1.4062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1087   -2.1831    0.4478 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7514   -3.3735   -0.2796 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1826   -4.6295    0.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6840   -4.6720    0.6393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2719   -5.3113   -0.5978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7229   -4.1943   -1.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5853   -3.5195   -2.1181 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8688   -3.0189   -3.3482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2671   -3.3069   -1.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4371   -3.0218   -2.5296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0023    6.7044   -2.8833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1376    5.0501   -2.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0954    6.4335   -1.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2973    7.0462   -1.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2258    6.6059   -3.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6160    4.2395   -2.7308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9310    5.3642   -2.1349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1692    5.2118    0.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6939    3.6571   -0.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6887    3.3418    0.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7683    4.4981   -0.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1265    3.0081   -2.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1840    1.9716   -1.0762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6229    1.2464   -1.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2236    2.7431   -0.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0732    2.0217    1.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3178    1.7166    2.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    0.7690    3.9750 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8977   -0.7621    3.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7198    0.4269    3.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2617   -1.1153    2.5126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5044   -2.1522    4.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1925   -1.6615    4.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9037   -0.9180    6.8130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8096    0.0377    5.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3548    2.3341    4.8732 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2003   -0.2802    7.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0597   -2.6684   -0.7301 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1277    0.4642   -3.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4763   -0.2654   -5.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8591   -2.3496   -6.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9386   -3.6217   -6.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6937   -2.9738   -3.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5291    1.3656    1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3019    2.3782   -0.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5151    2.3468   -0.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6512    0.5176    2.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1929   -1.1447    2.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4354   -0.6328    2.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7897   -0.4268    1.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6527   -0.0832   -0.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6269    1.2895    1.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3342   -0.6395   -1.9166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6425   -3.4065   -0.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9067   -5.5256   -0.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7165   -4.7275    1.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1199   -3.6964    0.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8701   -5.3922    1.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1588   -5.9236   -0.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5437   -5.9782   -1.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4386   -4.5588   -2.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2369   -3.4429   -0.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1518   -3.8102   -3.9040 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  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 12 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 35  2  0
 35 36  1  0
 35 34  1  0
 34 26  1  0
 26 25  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
  8 37  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  0
 40 41  1  0
 40 42  2  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 48 50  1  0
 50 51  2  0
 25 24  1  0
 32 27  1  0
 50 43  1  0
  1 52  1  0
  1 53  1  0
  1 54  1  0
  2 55  1  0
  2 56  1  0
  3 57  1  0
  3 58  1  0
  4 59  1  0
  4 60  1  0
  5 61  1  0
  5 62  1  0
  6 63  1  0
  6 64  1  0
  7 65  1  0
  7 66  1  0
  8 67  1  1
 12 68  1  1
 13 69  1  0
 13 70  1  0
 14 71  1  0
 14 72  1  0
 15 73  1  0
 15 74  1  0
 16 75  1  0
 16 76  1  0
 18 77  1  0
 19 78  1  0
 23 79  1  0
 36 85  1  0
 36 86  1  0
 36 87  1  0
 28 80  1  0
 29 81  1  0
 30 82  1  0
 31 83  1  0
 33 84  1  0
 38 88  1  0
 38 89  1  0
 38 90  1  0
 39 91  1  0
 39 92  1  0
 39 93  1  0
 41 94  1  0
 43 95  1  6
 44 96  1  0
 44 97  1  0
 45 98  1  0
 45 99  1  0
 46100  1  0
 46101  1  0
 47102  1  0
 47103  1  0
 49104  1  0
M  END


  Mrv1652309032216232D          

 51 53  0  0  1  0            999 V2000
   -4.2258   -2.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4156   -2.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8755   -3.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0654   -2.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5253   -3.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7152   -3.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1751   -4.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6350   -3.8753    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1751   -4.4989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9853   -4.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2553   -3.5634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5254   -4.9666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2553   -5.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7954   -6.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5254   -7.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0654   -7.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7954   -8.5526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9853   -8.7085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3355   -9.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0654   -9.9558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3355   -4.8107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8756   -5.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6055   -6.2139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6857   -5.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0358   -4.5314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8544   -4.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4182   -4.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1785   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7422   -2.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5457   -2.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7855   -3.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2217   -4.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4614   -5.0076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0103   -5.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2880   -5.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1860   -6.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9051   -3.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6846   -3.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1255   -2.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1751   -2.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9853   -2.1602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6350   -1.6925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9051   -0.9130    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3199   -0.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4097    0.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1069    0.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8864    0.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1613   -0.1181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9814   -0.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7246   -0.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1657   -1.5152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  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
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 12 21  1  6  0  0  0
 21 22  2  0  0  0  0
 22 23  1  4  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 26 34  1  0  0  0  0
 34 35  1  0  0  0  0
 24 35  2  0  0  0  0
 35 36  1  0  0  0  0
  8 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  1  0  0  0  0
 40 41  1  4  0  0  0
 40 42  2  0  0  0  0
 43 42  1  1  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 43 50  1  0  0  0  0
 50 51  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0176679

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C36H53N5O10/c1-5-6-7-8-9-20-29(36(3,4)35(47)38-26-17-13-15-22-41(49)33(26)45)51-34(46)27(18-12-14-21-40(48)23-42)37-31(44)30-24(2)50-32(39-30)25-16-10-11-19-28(25)43/h10-11,16,19,23,26-27,29,43,48-49H,5-9,12-15,17-18,20-22H2,1-4H3,(H,37,44)(H,38,47)/t26-,27+,29-/m0/s1

> <INCHI_KEY>
ZCNZVZVNVGHAHB-GKRYNVPLSA-N

> <FORMULA>
C36H53N5O10

> <MOLECULAR_WEIGHT>
715.845

> <EXACT_MASS>
715.379242927

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
104

> <JCHEM_AVERAGE_POLARIZABILITY>
77.71749277093716

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S)-N-[(3S)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2R)-2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(N-hydroxyformamido)hexanoyl]oxy}-2,2-dimethyldecanimidic acid

> <JCHEM_LOGP>
6.109513750999998

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.664795919727316

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.824549056702107

> <JCHEM_PKA_STRONGEST_BASIC>
1.3885621092187974

> <JCHEM_POLAR_SURFACE_AREA>
218.81999999999996

> <JCHEM_REFRACTIVITY>
198.00540000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
20

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3S)-N-[(3S)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2R)-2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(N-hydroxyformamido)hexanoyl]oxy}-2,2-dimethyldecanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0      -7.888  -4.906   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.376  -4.615   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.368  -5.779   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.855  -5.488   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.847  -6.652   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.335  -6.361   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.327  -7.525   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.185  -7.234   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.194  -8.398   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       3.706  -8.107   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       4.210  -6.652   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       4.714  -9.271   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.210 -10.726   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.218 -11.890   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.714 -13.345   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.722 -14.510   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       5.218 -15.965   0.000  0.00  0.00           N+0
HETATM   18  O   UNK     0       3.706 -16.256   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       6.226 -17.129   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       5.722 -18.584   0.000  0.00  0.00           O+0
HETATM   21  N   UNK     0       6.226  -8.980   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       7.234 -10.144   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       6.730 -11.599   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       8.747  -9.853   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0       9.400  -8.459   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0      10.928  -8.649   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      11.981  -7.525   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      11.533  -6.051   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      12.585  -4.927   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      14.085  -5.276   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      14.533  -6.750   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      13.481  -7.874   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      13.928  -9.348   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      11.219 -10.161   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       9.871 -10.905   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       9.680 -12.434   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.689  -5.779   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       3.145  -6.283   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       0.234  -5.275   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       2.194  -4.323   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       3.706  -4.032   0.000  0.00  0.00           O+0
HETATM   42  N   UNK     0       1.185  -3.159   0.000  0.00  0.00           N+0
HETATM   43  C   UNK     0       1.689  -1.704   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       0.597  -0.619   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       0.765   0.912   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       2.066   1.736   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       3.521   1.232   0.000  0.00  0.00           C+0
HETATM   48  N   UNK     0       4.035  -0.220   0.000  0.00  0.00           N+0
HETATM   49  O   UNK     0       5.565  -0.388   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0       3.219  -1.527   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0       4.043  -2.828   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   37                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   21                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19                                                            
CONECT   21   12   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   35                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   34                                                  
CONECT   27   26   28   32                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   27   33                                                  
CONECT   33   32                                                            
CONECT   34   26   35                                                       
CONECT   35   34   24   36                                                  
CONECT   36   35                                                            
CONECT   37    8   38   39   40                                             
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40   37   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43                                                       
CONECT   43   42   44   50                                                  
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   49   50                                                  
CONECT   49   48                                                            
CONECT   50   48   43   51                                                  
CONECT   51   50                                                            
MASTER        0    0    0    0    0    0    0    0   51    0  106    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₅₃N₅O₁₀

Average Mass

715.8450 Da

Monoisotopic Mass

715.37924 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C36H53N5O10/c1-5-6-7-8-9-20-29(36(3,4)35(47)38-26-17-13-15-22-41(49)33(26)45)51-34(46)27(18-12-14-21-40(48)23-42)37-31(44)30-24(2)50-32(39-30)25-16-10-11-19-28(25)43/h10-11,16,19,23,26-27,29,43,48-49H,5-9,12-15,17-18,20-22H2,1-4H3,(H,37,44)(H,38,47)/t26-,27+,29-/m0/s1

InChI Key

ZCNZVZVNVGHAHB-GKRYNVPLSA-N

Experimental Spectra

Not Available

Predicted Spectra

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

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

N-acyl-alpha amino acids and derivatives

Alternative Parents

Substituents

Alpha-amino acid ester
N-acyl-alpha amino acid or derivatives
Phenyl-1,3-oxazole
2-heteroaryl carboxamide
2,4,5-trisubstituted 1,3-oxazole
Caprolactam
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Azepane
Phenol
Fatty acid ester
Monocyclic benzene moiety
N-acyl-amine
Benzenoid
Fatty acyl
Fatty amide
Oxazole
Azole
Heteroaromatic compound
Carboxamide group
Carboxylic acid ester
Hydroxamic acid
Lactam
Secondary carboxylic acid amide
Organoheterocyclic compound
Azacycle
Oxacycle
Monocarboxylic acid or derivatives
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Organopnictogen compound
Organic oxide
Organooxygen compound
Organonitrogen compound
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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00027836

Chemspider ID

10230923

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

135438025

PDB ID

Not Available

ChEBI ID

188831

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3s)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyformamido)hexanoyl]oxy}-2,2-dimethyldecanimidic acid (NP0176679)

MOL for NP0176679 ((3s)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyformamido)hexanoyl]oxy}-2,2-dimethyldecanimidic acid)

3D MOL for NP0176679 ((3s)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyformamido)hexanoyl]oxy}-2,2-dimethyldecanimidic acid)

3D SDF for NP0176679 ((3s)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyformamido)hexanoyl]oxy}-2,2-dimethyldecanimidic acid)

3D-SDF for NP0176679 ((3s)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyformamido)hexanoyl]oxy}-2,2-dimethyldecanimidic acid)

PDB for NP0176679 ((3s)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyformamido)hexanoyl]oxy}-2,2-dimethyldecanimidic acid)

3D PDB for NP0176679 ((3s)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyformamido)hexanoyl]oxy}-2,2-dimethyldecanimidic acid)

SMILES for NP0176679 ((3s)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyformamido)hexanoyl]oxy}-2,2-dimethyldecanimidic acid)

INCHI for NP0176679 ((3s)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyformamido)hexanoyl]oxy}-2,2-dimethyldecanimidic acid)

Structure for NP0176679 ((3s)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyformamido)hexanoyl]oxy}-2,2-dimethyldecanimidic acid)

3D Structure for NP0176679 ((3s)-n-[(3s)-1-hydroxy-2-oxoazepan-3-yl]-3-{[(2r)-2-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylidene}amino)-6-(n-hydroxyformamido)hexanoyl]oxy}-2,2-dimethyldecanimidic acid)