NP-MRD: Showing NP-Card for 4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-methylbutylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-5-phenylpentanoic acid (NP0191763)

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Record Information

Version

1.0

Created at

2022-09-04 08:49:34 UTC

Updated at

2022-09-04 08:49:34 UTC

NP-MRD ID

NP0191763

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-methylbutylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-5-phenylpentanoic acid

Description

4-({2-[(1,3-Dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-methylbutylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-5-phenylpentanoic 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. 4-({2-[(1,3-Dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-methylbutylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-5-phenylpentanoic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004241513542D          

 51 51  0  0  0  0            999 V2000
   14.6514  -13.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4768  -12.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0878  -11.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6912  -12.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5166  -11.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7310  -11.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1200  -11.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2946  -12.5262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3345  -11.4679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7235  -12.0222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9379  -11.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7633  -10.9639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3269  -12.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5413  -12.0726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9303  -12.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1049  -13.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447  -12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5337  -12.9293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7481  -12.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7083  -13.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5014  -13.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8904  -13.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2870  -13.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1599  -10.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3743  -10.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7709  -10.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1276  -10.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9531  -10.0568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9132  -11.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5242  -10.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3496   -9.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3098  -10.8128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9208  -10.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7462   -9.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7064  -10.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8810  -11.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3174   -9.9560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1030  -10.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7140   -9.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4995   -9.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1106   -9.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8961   -9.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0707  -10.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4597  -10.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6741  -10.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2775  -11.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0631  -11.2663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6665  -11.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8411  -12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6267  -12.6270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2301  -12.9293    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 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
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  9 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
  5 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 40 45  1  0  0  0  0
 38 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
M  END

     RDKit          3D

112112  0  0  0  0  0  0  0  0999 V2000
   10.0178    5.3069    0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5610    3.8873   -0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3052    3.0289    0.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0586    3.7570    0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6611    2.3433    0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5366    1.4805   -0.2048 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3362    1.9168    0.2456 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9387    0.5006    0.1669 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8253    0.2986   -0.7631 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2777    1.3564   -1.2216 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3886   -0.9781   -1.1294 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2606   -1.2096   -2.0501 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1657   -1.7199   -1.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9799   -1.0349   -0.1409 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3807   -2.8229   -1.5318 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2788   -3.3910   -0.8470 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3885   -4.7072   -0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3711   -5.0050    0.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3089   -4.2304    2.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8252   -5.0811    0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5233   -2.3543   -0.0429 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5843   -3.0243    0.6169 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1444   -1.3966   -1.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9212   -0.3840   -0.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7745   -0.1495    0.8965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8846    0.3584   -1.0724 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6665    1.3707   -0.4220 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1431    2.4761   -1.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8102    0.6887    0.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6875   -0.4883    0.6756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0537    1.3490    0.3609 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1781    0.6787    1.0337 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.1352    0.1315    0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7805    1.0906   -0.8656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1992    1.3863   -2.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7805    2.2619   -2.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9747    2.8761   -2.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5437    2.5696   -1.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9765    1.7041   -0.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7707    1.6363    2.0077 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.2575    2.7956    1.4123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7369    1.0145    2.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2524    2.0560    3.8831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8745    3.2702    3.7469 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1459    1.8210    4.9118 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6140   -2.0835   -3.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0543   -3.4673   -2.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5521   -1.9860   -4.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5288    0.0720    1.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3260    0.8587    2.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2675   -1.3854    1.7366 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1592    5.9731   -0.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3324    5.4816    1.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8461    5.4886   -0.6021 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8153    3.5201   -1.0311 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1573    3.5811    1.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5976    2.7783    1.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7383    2.1339    0.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5789    4.4137   -0.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7596    4.1280    1.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5904    2.5993    0.4477 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7979   -0.0939   -0.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9024   -1.8182   -0.7555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -0.1929   -2.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6563   -3.3427   -2.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5063   -3.5505   -1.7227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6347   -4.9496    0.2164 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4832   -5.5340   -1.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1733   -6.0878    1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2622   -3.6183    2.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3769   -4.8953    3.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4242   -3.6303    2.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9129   -5.5856   -0.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2973   -4.0803    0.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3860   -5.7011    1.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0767   -1.8027    0.6497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3416   -2.4104    0.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8480   -1.9408   -1.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3329   -0.8961   -1.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0026    0.1393   -2.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0232    1.7353    0.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5128    3.3300   -0.6838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3913    2.8064   -2.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0412    2.1401   -1.8764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1644    2.2979   -0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7351   -0.1785    1.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6169   -0.7029   -0.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9384   -0.4086    0.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2388    0.9247   -2.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3431    2.5041   -3.9245 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4591    3.5743   -3.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5029    3.0792   -1.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4328    1.4744    0.3896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9073    2.0034    2.6511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4981    3.3962    1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5332    0.4133    2.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2016    0.2756    3.6443 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5635    2.5461    5.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5493   -1.6294   -3.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5468   -4.2771   -3.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1539   -3.6450   -3.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0044   -3.5766   -1.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -1.5752   -3.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8478   -1.2709   -5.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -2.9729   -4.6904 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3561    0.3531    2.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0305    0.4769    3.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
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 45 98  1  0
M  END


  Mrv1533004241513542D          

 51 51  0  0  0  0            999 V2000
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   13.6912  -12.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5166  -11.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7310  -11.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1200  -11.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2946  -12.5262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7235  -12.0222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9379  -11.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5413  -12.0726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7481  -12.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7083  -13.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8904  -13.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2870  -13.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1599  -10.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3743  -10.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7709  -10.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1276  -10.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9531  -10.0568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9132  -11.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5242  -10.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3496   -9.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3098  -10.8128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9208  -10.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7462   -9.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7064  -10.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8810  -11.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3174   -9.9560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1030  -10.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7140   -9.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4995   -9.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1106   -9.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8961   -9.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0707  -10.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4597  -10.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6741  -10.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2775  -11.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0631  -11.2663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6665  -11.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8411  -12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6267  -12.6270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2301  -12.9293    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 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
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  9 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
  5 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 40 45  1  0  0  0  0
 38 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0191763

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)CC(NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)C(O)CC(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(O)CC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C37H61N5O9/c1-20(2)15-26(40-36(50)34(23(7)8)42-37(51)33(22(5)6)41-30(45)16-21(3)4)28(43)18-31(46)38-24(9)35(49)39-27(29(44)19-32(47)48)17-25-13-11-10-12-14-25/h10-14,20-24,26-29,33-34,43-44H,15-19H2,1-9H3,(H,38,46)(H,39,49)(H,40,50)(H,41,45)(H,42,51)(H,47,48)

> <INCHI_KEY>
FVSJSCCWSPDVEY-UHFFFAOYSA-N

> <FORMULA>
C37H61N5O9

> <MOLECULAR_WEIGHT>
719.921

> <EXACT_MASS>
719.446928564

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
112

> <JCHEM_AVERAGE_POLARIZABILITY>
78.14056888196097

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-hydroxy-4-[2-(3-hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-methylbutanamido)butanamido]butanamido}heptanamido)propanamido]-5-phenylpentanoic acid

> <ALOGPS_LOGP>
1.54

> <JCHEM_LOGP>
2.1205870273333334

> <ALOGPS_LOGS>
-4.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.24494220674226

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.247986597075192

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0795567782112707

> <JCHEM_POLAR_SURFACE_AREA>
223.26

> <JCHEM_REFRACTIVITY>
190.36460000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
22

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.12e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-hydroxy-4-[2-(3-hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-methylbutanamido)butanamido]butanamido}heptanamido)propanamido]-5-phenylpentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0      27.349 -24.793   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      27.023 -23.288   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      28.164 -22.253   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      25.557 -22.818   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      25.231 -21.313   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      23.765 -20.842   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      22.624 -21.877   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      22.950 -23.382   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      21.158 -21.407   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      20.017 -22.442   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      18.551 -21.971   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      18.225 -20.466   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      17.410 -23.006   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0      15.944 -22.536   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      14.803 -23.570   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      15.129 -25.075   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      13.337 -23.100   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      12.196 -24.135   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.730 -23.664   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.522 -25.640   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      17.736 -24.511   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      16.595 -25.546   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      19.202 -24.981   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      20.832 -19.902   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      19.365 -19.431   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      21.972 -18.867   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      26.372 -20.278   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      26.046 -18.773   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      27.838 -20.748   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      28.979 -19.713   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      28.653 -18.208   0.000  0.00  0.00           O+0
HETATM   32  N   UNK     0      30.445 -20.184   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0      31.585 -19.149   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      31.260 -17.644   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      33.052 -19.619   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      33.378 -21.125   0.000  0.00  0.00           O+0
HETATM   37  N   UNK     0      34.192 -18.585   0.000  0.00  0.00           N+0
HETATM   38  C   UNK     0      35.659 -19.055   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      36.799 -18.020   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      38.266 -18.491   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      39.406 -17.456   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      40.873 -17.926   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      41.199 -19.431   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      40.058 -20.466   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      38.592 -19.996   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      35.985 -20.560   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      37.451 -21.030   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0      34.844 -21.595   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      35.170 -23.100   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      36.636 -23.570   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0      34.030 -24.135   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   27                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   24                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   21                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   13   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24    9   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27    5   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37   39   46                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41   45                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   40                                                       
CONECT   46   38   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   49                                                       
CONECT   49   48   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49                                                            
MASTER        0    0    0    0    0    0    0    0   51    0  102    0
END

View in JSmol

Synonyms

Value	Source
4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-methylbutylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-5-phenylpentanoate	Generator

Chemical Formula

C₃₇H₆₁N₅O₉

Average Mass

719.9210 Da

Monoisotopic Mass

719.44693 Da

IUPAC Name

3-hydroxy-4-[2-(3-hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-methylbutanamido)butanamido]butanamido}heptanamido)propanamido]-5-phenylpentanoic acid

Traditional Name

3-hydroxy-4-[2-(3-hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-methylbutanamido)butanamido]butanamido}heptanamido)propanamido]-5-phenylpentanoic acid

CAS Registry Number

Not Available

SMILES

CC(C)CC(NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)C(O)CC(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(O)CC(O)=O

InChI Identifier

InChI=1S/C37H61N5O9/c1-20(2)15-26(40-36(50)34(23(7)8)42-37(51)33(22(5)6)41-30(45)16-21(3)4)28(43)18-31(46)38-24(9)35(49)39-27(29(44)19-32(47)48)17-25-13-11-10-12-14-25/h10-14,20-24,26-29,33-34,43-44H,15-19H2,1-9H3,(H,38,46)(H,39,49)(H,40,50)(H,41,45)(H,42,51)(H,47,48)

InChI Key

FVSJSCCWSPDVEY-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
Alpha-dipeptide
Valine or derivatives
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Gamma amino acid or derivatives
Alanine or derivatives
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
Medium-chain hydroxy acid
Medium-chain fatty acid
Amino fatty acid
Beta-hydroxy acid
Branched fatty acid
Hydroxy fatty acid
Benzenoid
N-acyl-amine
Monocyclic benzene moiety
Fatty acid
Fatty amide
Hydroxy acid
Fatty acyl
Secondary carboxylic acid amide
Secondary alcohol
Carboxamide group
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Carboxylic acid
Organooxygen compound
Carbonyl group
Organic oxygen compound
Organic nitrogen compound
Organic oxide
Alcohol
Organonitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	1.54	ALOGPS
logP	2.12	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	4.25	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	223.26 Å²	ChemAxon
Rotatable Bond Count	22	ChemAxon
Refractivity	190.36 m³·mol⁻¹	ChemAxon
Polarizability	78.14 Å³	ChemAxon
Number of Rings	1	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-methylbutylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-5-phenylpentanoic acid (NP0191763)

MOL for NP0191763 (4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-methylbutylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-5-phenylpentanoic acid)

3D MOL for NP0191763 (4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-methylbutylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-5-phenylpentanoic acid)

3D SDF for NP0191763 (4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-methylbutylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-5-phenylpentanoic acid)

3D-SDF for NP0191763 (4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-methylbutylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-5-phenylpentanoic acid)

PDB for NP0191763 (4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-methylbutylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-5-phenylpentanoic acid)

3D PDB for NP0191763 (4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-methylbutylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-5-phenylpentanoic acid)

SMILES for NP0191763 (4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-methylbutylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-5-phenylpentanoic acid)

INCHI for NP0191763 (4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-methylbutylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-5-phenylpentanoic acid)

Structure for NP0191763 (4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-methylbutylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-5-phenylpentanoic acid)

3D Structure for NP0191763 (4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-methylbutylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-5-phenylpentanoic acid)