NP-MRD: Showing NP-Card for Sansanmycin Q (NP0020154)

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Record Information

Version

2.0

Created at

2021-01-06 05:37:58 UTC

Updated at

2021-07-15 17:32:54 UTC

NP-MRD ID

NP0020154

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Sansanmycin Q

Provided By

NPAtlas

Description

Sansanmycin Q is found in Streptomyces. Sansanmycin Q was first documented in 2019 (PMID: 31341273). Based on a literature review very few articles have been published on 2-[({1-[(2-{2-[(2-amino-1-hydroxyethylidene)amino]-3-(3-hydroxyphenyl)-N-methylpropanamido}-1-({[(2Z)-4-hydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-ylidene]methyl}-C-hydroxycarbonimidoyl)propyl)-C-hydroxycarbonimidoyl]-3-(methylsulfanyl)propyl}-C-hydroxycarbonimidoyl)amino]-3-(1H-indol-3-yl)propanoic acid.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652307042107513D          

117121  0  0  0  0            999 V2000
    1.2240    4.1133   -3.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573    3.6346   -4.3752 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6633    4.1691   -3.2476 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8091    3.4998   -1.9835 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7852    2.2286   -1.9195 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6864    1.9668   -0.5273 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5287    2.4317    0.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7745    3.5138    1.1944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8199    1.4708    1.5651 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2136    1.6161    2.8204 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7204    3.0230    3.0145 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1942    3.7975    2.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1084    4.7578    1.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648    5.3303    0.7690 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0364    4.8136    1.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3634    5.1310    1.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2890    4.4643    1.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9186    3.5018    2.7936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5695    3.2000    2.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6035    3.8555    2.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2424    0.5244    2.9139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9952    0.6086    3.1029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6820   -0.7982    2.7961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0112    1.0923   -2.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3484    1.2529   -3.5646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9725   -0.1568   -1.8757 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2729   -1.3865   -2.3270 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6509   -2.2751   -2.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0604   -2.7746   -3.1975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0778   -1.9722   -0.8973 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4895   -1.6669   -0.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1408   -1.3530    0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5684   -0.8558    0.1082 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.4290    0.1094    1.3406 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.5204    0.7845    1.6164 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8752   -0.9085    2.2871 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2020   -0.4480    3.4367 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0494    0.8148    3.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2230    1.2406    4.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5152    0.2651    5.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7240    0.4920    6.3967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6936   -1.0320    5.1226 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5136   -1.4058    4.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6725   -2.6152    3.8314 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6821   -1.2980    1.4225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1538   -2.0016   -1.8815 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0149   -2.6486   -0.5879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9980   -0.9447   -1.7869 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9794   -0.1803   -0.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8051   -0.7974   -2.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1368   -0.5479   -3.9841 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3054   -0.8389   -3.1413 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2948   -0.4148   -2.2297 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3848   -1.3349   -1.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0706   -1.1157    0.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1956   -2.1510    1.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6387   -3.3983    0.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9815   -3.6517   -0.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4453   -4.9255   -0.9416 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8451   -2.6298   -1.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3435   -0.5585   -4.5196 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5852    0.7268   -5.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8904    1.7647   -4.4087 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3114    0.8920   -6.4916 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6683    2.0121   -7.1853 N   0  0  1  0  0  0  0  0  0  0  0  0
    1.5152    3.2560   -2.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862    4.9796   -2.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9624    4.3673   -4.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6353    3.9974   -3.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7196    5.3131   -3.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8127    2.8969   -1.7684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0505    4.0878   -1.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6050    2.5802   -2.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2566    0.9234   -0.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8233    0.4570    1.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9599    1.5369    3.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2504    2.8859    4.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6749    3.6027    3.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0922    5.0697    0.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9707    6.0858    0.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7049    5.8565    0.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3639    4.6451    1.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6353    2.9406    3.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2958    2.4314    3.6973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6178   -1.0851    2.5858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4616   -0.2875   -0.9658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2866   -1.2004   -3.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6096   -2.0367   -0.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0374   -1.7963   -1.8826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4025   -1.2741   -0.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4215    0.0303   -0.7763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5499    0.7972    1.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4421    1.7879    1.4392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5383   -1.7497    2.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6375    1.5592    3.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0728    2.2713    5.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1654   -1.8047    5.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2454   -2.6232   -2.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4107   -1.9791    0.1975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5761   -3.6169   -0.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0532   -2.8617   -0.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -0.7681    0.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0287    0.2345   -0.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6133    0.7546   -0.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4358   -2.0721   -3.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2929   -0.2473   -2.6343 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0654    0.6507   -1.7905 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7307   -0.1248    0.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9241   -1.9832    2.1903 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7597   -4.2239    1.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6632   -4.9846   -1.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0973   -2.8395   -2.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3223   -1.3641   -5.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0818    1.4382   -6.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8727    0.0039   -6.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0079    2.2658   -7.9433 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7774    2.8181   -6.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  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  1  0  0  0  0
 12 13  2  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
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 10 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  5 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 36 45  1  0  0  0  0
 27 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
 48 50  1  0  0  0  0
 50 51  2  0  0  0  0
 50 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  2  0  0  0  0
 55 56  1  0  0  0  0
 56 57  2  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 58 60  2  0  0  0  0
 52 61  1  0  0  0  0
 61 62  1  0  0  0  0
 62 63  2  0  0  0  0
 62 64  1  0  0  0  0
 64 65  1  0  0  0  0
 20 12  1  0  0  0  0
 45 32  1  0  0  0  0
 60 54  1  0  0  0  0
 20 15  1  0  0  0  0
 43 37  1  0  0  0  0
  1 66  1  0  0  0  0
  1 67  1  0  0  0  0
  1 68  1  0  0  0  0
  3 69  1  0  0  0  0
  3 70  1  0  0  0  0
  4 71  1  0  0  0  0
  4 72  1  0  0  0  0
  5 73  1  6  0  0  0
  6 74  1  0  0  0  0
  9 75  1  0  0  0  0
 10 76  1  1  0  0  0
 11 77  1  0  0  0  0
 11 78  1  0  0  0  0
 13 79  1  0  0  0  0
 14 80  1  0  0  0  0
 16 81  1  0  0  0  0
 17 82  1  0  0  0  0
 18 83  1  0  0  0  0
 19 84  1  0  0  0  0
 23 85  1  0  0  0  0
 26 86  1  0  0  0  0
 27 87  1  6  0  0  0
 30 88  1  0  0  0  0
 31 89  1  0  0  0  0
 33 90  1  0  0  0  0
 33 91  1  0  0  0  0
 34 92  1  6  0  0  0
 35 93  1  0  0  0  0
 36 94  1  1  0  0  0
 38 95  1  0  0  0  0
 39 96  1  0  0  0  0
 42 97  1  0  0  0  0
 46 98  1  6  0  0  0
 47 99  1  0  0  0  0
 47100  1  0  0  0  0
 47101  1  0  0  0  0
 49102  1  0  0  0  0
 49103  1  0  0  0  0
 49104  1  0  0  0  0
 52105  1  6  0  0  0
 53106  1  0  0  0  0
 53107  1  0  0  0  0
 55108  1  0  0  0  0
 56109  1  0  0  0  0
 57110  1  0  0  0  0
 59111  1  0  0  0  0
 60112  1  0  0  0  0
 61113  1  0  0  0  0
 64114  1  0  0  0  0
 64115  1  0  0  0  0
 65116  1  0  0  0  0
 65117  1  0  0  0  0
M  END

     RDKit          3D

117121  0  0  0  0  0  0  0  0999 V2000
    1.2240    4.1133   -3.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573    3.6346   -4.3752 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6633    4.1691   -3.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8091    3.4998   -1.9835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7852    2.2286   -1.9195 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6864    1.9668   -0.5273 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5287    2.4317    0.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7745    3.5138    1.1944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8199    1.4708    1.5651 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2136    1.6161    2.8204 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7204    3.0230    3.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1942    3.7975    2.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1084    4.7578    1.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648    5.3303    0.7690 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0364    4.8136    1.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3634    5.1310    1.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2890    4.4643    1.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9186    3.5018    2.7936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5695    3.2000    2.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6035    3.8555    2.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652307042107513D          

117121  0  0  0  0            999 V2000
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M  END
> <DATABASE_ID>
NP0020154

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC(=O)[C@]([H])(N([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C(\[H])=C1/O[C@@]([H])(N2C([H])=C([H])C(=O)N([H])C2=O)[C@]([H])(O[H])C1([H])[H])[C@@]([H])(N(C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C(O[H])=C1[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12

> <INCHI_IDENTIFIER>
InChI=1S/C42H52N10O12S/c1-22(51(2)38(59)30(46-34(56)19-43)16-23-7-6-8-25(53)15-23)35(37(58)45-21-26-18-32(54)39(64-26)52-13-11-33(55)49-42(52)63)50-36(57)29(12-14-65-3)47-41(62)48-31(40(60)61)17-24-20-44-28-10-5-4-9-27(24)28/h4-11,13,15,20-22,29-32,35,39,44,53-54H,12,14,16-19,43H2,1-3H3,(H,45,58)(H,46,56)(H,50,57)(H,60,61)(H2,47,48,62)(H,49,55,63)/b26-21-/t22-,29-,30-,31+,32+,35-,39+/m0/s1

> <INCHI_KEY>
CNQKAEWVZWVTDG-QLYXXIJNSA-N

> <FORMULA>
C42H52N10O12S

> <MOLECULAR_WEIGHT>
921.0

> <EXACT_MASS>
920.348688328

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
117

> <JCHEM_AVERAGE_POLARIZABILITY>
89.67723607699722

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2-({[(1S)-1-{[(1S,2S)-2-[2-(2-aminoacetamido)-3-(3-hydroxyphenyl)-N-methylpropanamido]-1-({[(2Z,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl}carbamoyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}amino)-3-(1H-indol-3-yl)propanoic acid

> <ALOGPS_LOGP>
0.90

> <JCHEM_LOGP>
-4.081514482450001

> <ALOGPS_LOGS>
-4.82

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.27365945331673

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.517118685632887

> <JCHEM_PKA_STRONGEST_BASIC>
7.82253084029987

> <JCHEM_POLAR_SURFACE_AREA>
326.94999999999993

> <JCHEM_REFRACTIVITY>
234.10610000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
20

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.39e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-({[(1S)-1-{[(1S,2S)-2-[2-(2-aminoacetamido)-3-(3-hydroxyphenyl)-N-methylpropanamido]-1-({[(2Z,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl}carbamoyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}amino)-3-(1H-indol-3-yl)propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

117121  0  0  0  0  0  0  0  0999 V2000
    1.2240    4.1133   -3.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573    3.6346   -4.3752 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6633    4.1691   -3.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8091    3.4998   -1.9835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7852    2.2286   -1.9195 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6864    1.9668   -0.5273 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5287    2.4317    0.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7745    3.5138    1.1944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8199    1.4708    1.5651 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2136    1.6161    2.8204 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7204    3.0230    3.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1942    3.7975    2.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1084    4.7578    1.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648    5.3303    0.7690 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0364    4.8136    1.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3634    5.1310    1.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2890    4.4643    1.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9186    3.5018    2.7936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5695    3.2000    2.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6035    3.8555    2.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2424    0.5244    2.9139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9952    0.6086    3.1029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6820   -0.7982    2.7961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0112    1.0923   -2.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3484    1.2529   -3.5646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9725   -0.1568   -1.8757 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2729   -1.3865   -2.3270 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6509   -2.2751   -2.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0604   -2.7746   -3.1975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0778   -1.9722   -0.8973 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4895   -1.6669   -0.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1408   -1.3530    0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5684   -0.8558    0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4290    0.1094    1.3406 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.5204    0.7845    1.6164 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8752   -0.9085    2.2871 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2020   -0.4480    3.4367 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0494    0.8148    3.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2230    1.2406    4.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5152    0.2651    5.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7240    0.4920    6.3967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6936   -1.0320    5.1226 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5136   -1.4058    4.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6725   -2.6152    3.8314 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6821   -1.2980    1.4225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1538   -2.0016   -1.8815 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0149   -2.6486   -0.5879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9980   -0.9447   -1.7869 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9794   -0.1803   -0.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8051   -0.7974   -2.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1368   -0.5479   -3.9841 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3054   -0.8389   -3.1413 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2948   -0.4148   -2.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3848   -1.3349   -1.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0706   -1.1157    0.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1956   -2.1510    1.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6387   -3.3983    0.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9815   -3.6517   -0.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4453   -4.9255   -0.9416 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8451   -2.6298   -1.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

HEADER    PROTEIN                                 04-JUL-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-JUL-21         0                                  
HETATM    1  C   UNK     0       1.224   4.113  -3.559  0.00  0.00           C+0
HETATM    2  S   UNK     0      -0.357   3.635  -4.375  0.00  0.00           S+0
HETATM    3  C   UNK     0      -1.663   4.169  -3.248  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.809   3.500  -1.984  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.785   2.229  -1.920  0.00  0.00           C+0
HETATM    6  N   UNK     0      -2.686   1.967  -0.527  0.00  0.00           N+0
HETATM    7  C   UNK     0      -2.529   2.432   0.738  0.00  0.00           C+0
HETATM    8  O   UNK     0      -2.775   3.514   1.194  0.00  0.00           O+0
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HETATM   10  C   UNK     0      -1.214   1.616   2.820  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.720   3.023   3.014  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.194   3.797   2.264  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.108   4.758   1.266  0.00  0.00           C+0
HETATM   14  N   UNK     0       0.965   5.330   0.769  0.00  0.00           N+0
HETATM   15  C   UNK     0       2.036   4.814   1.339  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.363   5.131   1.158  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.289   4.464   1.889  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.919   3.502   2.794  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.570   3.200   2.991  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.603   3.856   2.270  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.242   0.524   2.914  0.00  0.00           C+0
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HETATM   25  O   UNK     0      -1.348   1.253  -3.565  0.00  0.00           O+0
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HETATM   43  C   UNK     0      -4.514  -1.406   4.124  0.00  0.00           C+0
HETATM   44  O   UNK     0      -4.673  -2.615   3.831  0.00  0.00           O+0
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HETATM   50  C   UNK     0       1.805  -0.797  -2.855  0.00  0.00           C+0
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HETATM   52  C   UNK     0       3.305  -0.839  -3.141  0.00  0.00           C+0
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HETATM   64  C   UNK     0       3.311   0.892  -6.492  0.00  0.00           C+0
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HETATM   76  H   UNK     0      -1.960   1.537   3.600  0.00  0.00           H+0
HETATM   77  H   UNK     0      -0.250   2.886   4.092  0.00  0.00           H+0
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HETATM   79  H   UNK     0      -1.092   5.070   0.900  0.00  0.00           H+0
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HETATM  103  H   UNK     0      -0.029   0.235  -0.404  0.00  0.00           H+0
HETATM  104  H   UNK     0       1.613   0.755  -0.710  0.00  0.00           H+0
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HETATM  112  H   UNK     0       5.097  -2.840  -2.470  0.00  0.00           H+0
HETATM  113  H   UNK     0       3.322  -1.364  -5.247  0.00  0.00           H+0
HETATM  114  H   UNK     0       2.082   1.438  -6.196  0.00  0.00           H+0
HETATM  115  H   UNK     0       2.873   0.004  -6.902  0.00  0.00           H+0
HETATM  116  H   UNK     0       3.008   2.266  -7.943  0.00  0.00           H+0
HETATM  117  H   UNK     0       3.777   2.818  -6.545  0.00  0.00           H+0
CONECT    1    2   66   67   68                                             
CONECT    2    1    3                                                       
CONECT    3    2    4   69   70                                             
CONECT    4    3    5   71   72                                             
CONECT    5    4    6   24   73                                             
CONECT    6    5    7   74                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   75                                                  
CONECT   10    9   11   21   76                                             
CONECT   11   10   12   77   78                                             
CONECT   12   11   13   20                                                  
CONECT   13   12   14   79                                                  
CONECT   14   13   15   80                                                  
CONECT   15   14   16   20                                                  
CONECT   16   15   17   81                                                  
CONECT   17   16   18   82                                                  
CONECT   18   17   19   83                                                  
CONECT   19   18   20   84                                                  
CONECT   20   19   12   15                                                  
CONECT   21   10   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   85                                                       
CONECT   24    5   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   86                                                  
CONECT   27   26   28   46   87                                             
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   88                                                  
CONECT   31   30   32   89                                                  
CONECT   32   31   33   45                                                  
CONECT   33   32   34   90   91                                             
CONECT   34   33   35   36   92                                             
CONECT   35   34   93                                                       
CONECT   36   34   37   45   94                                             
CONECT   37   36   38   43                                                  
CONECT   38   37   39   95                                                  
CONECT   39   38   40   96                                                  
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43   97                                                  
CONECT   43   42   44   37                                                  
CONECT   44   43                                                            
CONECT   45   36   32                                                       
CONECT   46   27   47   48   98                                             
CONECT   47   46   99  100  101                                             
CONECT   48   46   49   50                                                  
CONECT   49   48  102  103  104                                             
CONECT   50   48   51   52                                                  
CONECT   51   50                                                            
CONECT   52   50   53   61  105                                             
CONECT   53   52   54  106  107                                             
CONECT   54   53   55   60                                                  
CONECT   55   54   56  108                                                  
CONECT   56   55   57  109                                                  
CONECT   57   56   58  110                                                  
CONECT   58   57   59   60                                                  
CONECT   59   58  111                                                       
CONECT   60   58   54  112                                                  
CONECT   61   52   62  113                                                  
CONECT   62   61   63   64                                                  
CONECT   63   62                                                            
CONECT   64   62   65  114  115                                             
CONECT   65   64  116  117                                                  
CONECT   66    1                                                            
CONECT   67    1                                                            
CONECT   68    1                                                            
CONECT   69    3                                                            
CONECT   70    3                                                            
CONECT   71    4                                                            
CONECT   72    4                                                            
CONECT   73    5                                                            
CONECT   74    6                                                            
CONECT   75    9                                                            
CONECT   76   10                                                            
CONECT   77   11                                                            
CONECT   78   11                                                            
CONECT   79   13                                                            
CONECT   80   14                                                            
CONECT   81   16                                                            
CONECT   82   17                                                            
CONECT   83   18                                                            
CONECT   84   19                                                            
CONECT   85   23                                                            
CONECT   86   26                                                            
CONECT   87   27                                                            
CONECT   88   30                                                            
CONECT   89   31                                                            
CONECT   90   33                                                            
CONECT   91   33                                                            
CONECT   92   34                                                            
CONECT   93   35                                                            
CONECT   94   36                                                            
CONECT   95   38                                                            
CONECT   96   39                                                            
CONECT   97   42                                                            
CONECT   98   46                                                            
CONECT   99   47                                                            
CONECT  100   47                                                            
CONECT  101   47                                                            
CONECT  102   49                                                            
CONECT  103   49                                                            
CONECT  104   49                                                            
CONECT  105   52                                                            
CONECT  106   53                                                            
CONECT  107   53                                                            
CONECT  108   55                                                            
CONECT  109   56                                                            
CONECT  110   57                                                            
CONECT  111   59                                                            
CONECT  112   60                                                            
CONECT  113   61                                                            
CONECT  114   64                                                            
CONECT  115   64                                                            
CONECT  116   65                                                            
CONECT  117   65                                                            
MASTER        0    0    0    0    0    0    0    0  117    0  242    0
END

RDKit          3D

117121  0  0  0  0  0  0  0  0999 V2000
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 60112  1  0
 61113  1  0
 64114  1  0
 64115  1  0
 65116  1  0
 65117  1  0
M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
2-[({1-[(2-{2-[(2-amino-1-hydroxyethylidene)amino]-3-(3-hydroxyphenyl)-N-methylpropanamido}-1-({[(2Z)-4-hydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-ylidene]methyl}-C-hydroxycarbonimidoyl)propyl)-C-hydroxycarbonimidoyl]-3-(methylsulfanyl)propyl}-C-hydroxycarbonimidoyl)amino]-3-(1H-indol-3-yl)propanoate	Generator
2-[({1-[(2-{2-[(2-amino-1-hydroxyethylidene)amino]-3-(3-hydroxyphenyl)-N-methylpropanamido}-1-({[(2Z)-4-hydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-ylidene]methyl}-C-hydroxycarbonimidoyl)propyl)-C-hydroxycarbonimidoyl]-3-(methylsulphanyl)propyl}-C-hydroxycarbonimidoyl)amino]-3-(1H-indol-3-yl)propanoate	Generator
2-[({1-[(2-{2-[(2-amino-1-hydroxyethylidene)amino]-3-(3-hydroxyphenyl)-N-methylpropanamido}-1-({[(2Z)-4-hydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-ylidene]methyl}-C-hydroxycarbonimidoyl)propyl)-C-hydroxycarbonimidoyl]-3-(methylsulphanyl)propyl}-C-hydroxycarbonimidoyl)amino]-3-(1H-indol-3-yl)propanoic acid	Generator

Chemical Formula

C₄₂H₅₂N₁₀O₁₂S

Average Mass

921.0000 Da

Monoisotopic Mass

920.34869 Da

IUPAC Name

(2R)-2-({[(1S)-1-{[(1S,2S)-2-[2-(2-aminoacetamido)-3-(3-hydroxyphenyl)-N-methylpropanamido]-1-({[(2Z,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl}carbamoyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}amino)-3-(1H-indol-3-yl)propanoic acid

Traditional Name

(2R)-2-({[(1S)-1-{[(1S,2S)-2-[2-(2-aminoacetamido)-3-(3-hydroxyphenyl)-N-methylpropanamido]-1-({[(2Z,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl}carbamoyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}amino)-3-(1H-indol-3-yl)propanoic acid

CAS Registry Number

Not Available

SMILES

CSCCC(NC(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O)C(=O)NC(C(C)N(C)C(=O)C(CC1=CC(O)=CC=C1)NC(=O)CN)C(=O)N\C=C1\CC(O)C(O1)N1C=CC(=O)NC1=O

InChI Identifier

InChI=1S/C42H52N10O12S/c1-22(51(2)38(59)30(46-34(56)19-43)16-23-7-6-8-25(53)15-23)35(37(58)45-21-26-18-32(54)39(64-26)52-13-11-33(55)49-42(52)63)50-36(57)29(12-14-65-3)47-41(62)48-31(40(60)61)17-24-20-44-28-10-5-4-9-27(24)28/h4-11,13,15,20-22,29-32,35,39,44,53-54H,12,14,16-19,43H2,1-3H3,(H,45,58)(H,46,56)(H,50,57)(H,60,61)(H2,47,48,62)(H,49,55,63)/b26-21-

InChI Key

CNQKAEWVZWVTDG-QLYXXIJNSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Streptomyces	NPAtlas	31341273

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

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

Predicted Properties

Property	Value	Source
logP	0.9	ALOGPS
logP	-4.1	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	3.52	ChemAxon
pKa (Strongest Basic)	7.82	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	326.95 Å²	ChemAxon
Rotatable Bond Count	20	ChemAxon
Refractivity	234.11 m³·mol⁻¹	ChemAxon
Polarizability	89.68 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

NPAtlas ID

NPA024940

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

72188545

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Shi Y, Wang X, He N, Xie Y, Hong B: Rescrutiny of the sansanmycin biosynthetic gene cluster leads to the discovery of a novel sansanmycin analogue with more potency against Mycobacterium tuberculosis. J Antibiot (Tokyo). 2019 Oct;72(10):769-774. doi: 10.1038/s41429-019-0210-z. Epub 2019 Jul 24. [PubMed:31341273 ]

Showing NP-Card for Sansanmycin Q (NP0020154)

MOL for NP0020154 (Sansanmycin Q)

3D MOL for NP0020154 (Sansanmycin Q)

3D SDF for NP0020154 (Sansanmycin Q)

3D-SDF for NP0020154 (Sansanmycin Q)

PDB for NP0020154 (Sansanmycin Q)

3D PDB for NP0020154 (Sansanmycin Q)

SMILES for NP0020154 (Sansanmycin Q)

INCHI for NP0020154 (Sansanmycin Q)

Structure for NP0020154 (Sansanmycin Q)

3D Structure for NP0020154 (Sansanmycin Q)