
 FK 224

147150  0  0  0  0  0  0  0  0999 V2000
    6.5198   -0.5807   -1.6938 C   0  0  0  0  0
    6.3591   -0.2806   -3.1758 C   0  0  0  0  0
    5.7821    1.1161   -3.4033 C   0  0  0  0  0
    5.6249    1.4217   -4.8944 C   0  0  0  0  0
    5.0223    2.8128   -5.1100 C   0  0  0  0  0
    4.9596    3.1862   -6.5772 C   0  0  0  0  0
    6.1172    3.7517   -7.1499 C   0  0  0  0  0
    6.1563    4.1105   -8.4940 C   0  0  0  0  0
    5.0384    3.9069   -9.2888 C   0  0  0  0  0
    3.8841    3.3438   -8.7399 C   0  0  0  0  0
    3.8168    2.9680   -7.3836 C   0  0  0  0  0
    2.5571    2.3436   -6.7955 C   0  0  0  0  0
    1.4003    2.1175   -7.7670 C   0  0  0  0  0
    0.2460    1.3912   -7.1201 C   0  0  0  0  0
    0.1532    0.1664   -7.1348 O   0  0  0  0  0
   -0.7143    2.1999   -6.5596 N   0  0  0  0  0
   -1.9538    1.6274   -6.0203 C   0  0  0  0  0
   -1.7690    1.1242   -4.5666 C   0  0  0  0  0
   -1.2739    2.1417   -3.6625 O   0  0  0  0  0
    0.0224    1.9954   -3.2429 C   0  0  0  0  0
    0.8966    1.4303   -3.8853 O   0  0  0  0  0
    0.2672    2.6925   -1.8901 C   0  0  0  0  0
   -0.9649    2.9691   -1.1400 N   0  0  0  0  0
   -1.8236    1.9886   -0.6890 C   0  0  0  0  0
   -1.4859    0.8083   -0.6415 O   0  0  0  0  0
   -3.2068    2.5000   -0.1956 C   0  0  0  0  0
   -3.7509    3.4125   -1.2036 N   0  0  0  0  0
   -3.3314    4.7151   -1.3437 C   0  0  0  0  0
   -2.5374    5.2112   -0.5453 O   0  0  0  0  0
   -3.7437    5.3778   -2.6706 C   0  0  0  0  0
   -5.1969    5.5666   -2.7426 N   0  0  0  0  0
   -6.0430    4.5295   -3.0864 C   0  0  0  0  0
   -5.6493    3.3673   -3.1898 O   0  0  0  0  0
   -7.4394    4.9903   -3.5416 C   0  0  0  0  0
   -7.2593    5.2196   -4.9809 N   0  0  0  0  0
   -6.7761    6.4418   -5.4109 C   0  0  0  0  0
   -6.7990    7.4363   -4.6894 O   0  0  0  0  0
   -6.1592    6.4187   -6.8293 C   0  0  0  0  0
   -5.0106    5.4942   -6.7535 N   0  0  0  0  0
   -4.7946    4.5323   -7.7095 C   0  0  0  0  0
   -4.0804    4.7396   -8.6860 O   0  0  0  0  0
   -5.2572    3.1391   -7.3658 C   0  0  0  0  0
   -6.4904    2.7510   -7.7686 C   0  0  0  0  0
   -7.5258    3.4524   -8.5441 C   0  0  0  0  0
   -8.8634    3.3220   -8.1430 C   0  0  0  0  0
   -9.8904    3.9218   -8.8751 C   0  0  0  0  0
   -9.5851    4.6443  -10.0195 C   0  0  0  0  0
   -8.2728    4.7429  -10.4641 C   0  0  0  0  0
   -7.2473    4.1275   -9.7362 C   0  0  0  0  0
  -10.6118    5.2366  -10.6902 O   0  0  0  0  0
   -4.3286    2.2304   -6.7681 N   0  0  0  0  0
   -3.0904    2.6743   -6.2301 C   0  0  0  0  0
   -2.8466    3.8574   -5.9597 O   0  0  0  0  0
   -4.6853    0.8018   -6.8235 C   0  0  0  0  0
   -5.7351    7.8551   -7.2171 C   0  0  0  0  0
   -5.0749    8.0443   -8.5962 C   0  0  0  0  0
   -5.9947    7.6425   -9.7427 C   0  0  0  0  0
   -4.6572    9.5069   -8.7766 C   0  0  0  0  0
   -8.4915    3.9181   -3.2435 C   0  0  0  0  0
   -9.9024    4.4566   -3.3488 C   0  0  0  0  0
  -10.5330    5.0210   -2.2307 C   0  0  0  0  0
  -11.8271    5.5375   -2.3315 C   0  0  0  0  0
  -12.5008    5.4975   -3.5495 C   0  0  0  0  0
  -11.8829    4.9465   -4.6685 C   0  0  0  0  0
  -10.5891    4.4317   -4.5693 C   0  0  0  0  0
   -3.0030    6.7115   -2.9070 C   0  0  0  0  0
   -1.4877    6.5635   -3.0355 C   0  0  0  0  0
   -3.4697    7.2779   -4.1454 O   0  0  0  0  0
   -4.1329    1.3078    0.0373 C   0  0  0  0  0
   -5.4622    1.7429    0.5935 C   0  0  0  0  0
   -6.4165    2.0551   -0.1104 O   0  0  0  0  0
   -5.5443    1.8035    1.9517 N   0  0  0  0  0
    1.3176    1.9375   -1.0704 C   0  0  0  0  0
    1.5984    2.6411    0.1437 O   0  0  0  0  0
   -3.0490    0.6027   -3.9189 C   0  0  0  0  0
    6.9278   -1.5864   -1.5523 H   0  0  0  0  0
    7.2027    0.1323   -1.2208 H   0  0  0  0  0
    5.5565   -0.5288   -1.1764 H   0  0  0  0  0
    5.7012   -1.0330   -3.6259 H   0  0  0  0  0
    7.3350   -0.3664   -3.6678 H   0  0  0  0  0
    4.8079    1.1972   -2.9062 H   0  0  0  0  0
    6.4421    1.8631   -2.9450 H   0  0  0  0  0
    4.9878    0.6623   -5.3637 H   0  0  0  0  0
    6.6055    1.3555   -5.3827 H   0  0  0  0  0
    5.6276    3.5634   -4.5836 H   0  0  0  0  0
    4.0306    2.8741   -4.6494 H   0  0  0  0  0
    7.0045    3.9119   -6.5402 H   0  0  0  0  0
    7.0577    4.5435   -8.9185 H   0  0  0  0  0
    5.0600    4.1808  -10.3404 H   0  0  0  0  0
    3.0403    3.2028   -9.4096 H   0  0  0  0  0
    2.2004    2.9914   -5.9851 H   0  0  0  0  0
    2.8283    1.3787   -6.3490 H   0  0  0  0  0
    1.7174    1.5073   -8.6218 H   0  0  0  0  0
    1.0391    3.0706   -8.1721 H   0  0  0  0  0
   -0.6071    3.2085   -6.5394 H   0  0  0  0  0
   -2.1485    0.7660   -6.6609 H   0  0  0  0  0
   -1.0651    0.2816   -4.5869 H   0  0  0  0  0
    0.6632    3.6872   -2.1313 H   0  0  0  0  0
   -1.1880    3.9378   -0.9199 H   0  0  0  0  0
   -3.0437    3.0559    0.7355 H   0  0  0  0  0
   -4.3922    3.0455   -1.9128 H   0  0  0  0  0
   -3.4734    4.6870   -3.4795 H   0  0  0  0  0
   -5.4960    6.4975   -3.0414 H   0  0  0  0  0
   -7.6914    5.9298   -3.0320 H   0  0  0  0  0
   -6.9422    4.4213   -5.5177 H   0  0  0  0  0
   -6.9091    6.0399   -7.5269 H   0  0  0  0  0
   -4.1672    6.0529   -6.7424 H   0  0  0  0  0
   -6.8376    1.7473   -7.5344 H   0  0  0  0  0
   -9.1241    2.7404   -7.2617 H   0  0  0  0  0
  -10.9244    3.8191   -8.5575 H   0  0  0  0  0
   -8.0246    5.2866  -11.3709 H   0  0  0  0  0
   -6.2300    4.1871  -10.1195 H   0  0  0  0  0
  -10.2477    5.7498  -11.4306 H   0  0  0  0  0
   -3.9142    0.1260   -6.4720 H   0  0  0  0  0
   -5.5602    0.6301   -6.1876 H   0  0  0  0  0
   -4.8996    0.5204   -7.8604 H   0  0  0  0  0
   -6.6193    8.5048   -7.1578 H   0  0  0  0  0
   -5.0366    8.2323   -6.4568 H   0  0  0  0  0
   -4.1650    7.4361   -8.6486 H   0  0  0  0  0
   -6.1746    6.5705   -9.7230 H   0  0  0  0  0
   -6.9602    8.1557   -9.6851 H   0  0  0  0  0
   -5.5422    7.8745  -10.7127 H   0  0  0  0  0
   -3.9634    9.8152   -7.9878 H   0  0  0  0  0
   -4.1528    9.6508   -9.7384 H   0  0  0  0  0
   -5.5254   10.1743   -8.7478 H   0  0  0  0  0
   -8.3471    3.5228   -2.2292 H   0  0  0  0  0
   -8.3783    3.0575   -3.9156 H   0  0  0  0  0
  -10.0206    5.0645   -1.2720 H   0  0  0  0  0
  -12.3069    5.9739   -1.4594 H   0  0  0  0  0
  -13.5084    5.9020   -3.6272 H   0  0  0  0  0
  -12.4058    4.9222   -5.6213 H   0  0  0  0  0
  -10.1176    4.0178   -5.4542 H   0  0  0  0  0
   -3.2403    7.4312   -2.1153 H   0  0  0  0  0
   -1.2305    5.8221   -3.8000 H   0  0  0  0  0
   -1.0111    6.2705   -2.0977 H   0  0  0  0  0
   -1.0413    7.5117   -3.3554 H   0  0  0  0  0
   -3.1930    6.6683   -4.8532 H   0  0  0  0  0
   -3.6762    0.5919    0.7320 H   0  0  0  0  0
   -4.3200    0.7578   -0.8932 H   0  0  0  0  0
   -6.4505    2.0338    2.3413 H   0  0  0  0  0
   -4.8646    1.3722    2.5630 H   0  0  0  0  0
    2.2581    1.8598   -1.6264 H   0  0  0  0  0
    1.0072    0.9198   -0.8161 H   0  0  0  0  0
    0.7679    2.6411    0.6528 H   0  0  0  0  0
   -2.8477    0.2805   -2.8929 H   0  0  0  0  0
   -3.4564   -0.2590   -4.4500 H   0  0  0  0  0
   -3.8107    1.3854   -3.8509 H   0  0  0  0  0
  1  2  1  0  0  0
  1 76  1  0  0  0
  1 77  1  0  0  0
  1 78  1  0  0  0
  2  3  1  0  0  0
  2 79  1  0  0  0
  2 80  1  0  0  0
  3  4  1  0  0  0
  3 81  1  0  0  0
  3 82  1  0  0  0
  4  5  1  0  0  0
  4 83  1  0  0  0
  4 84  1  0  0  0
  5  6  1  0  0  0
  5 85  1  0  0  0
  5 86  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 87  1  0  0  0
  8  9  2  0  0  0
  8 88  1  0  0  0
  9 10  1  0  0  0
  9 89  1  0  0  0
 10 11  2  0  0  0
 10 90  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 91  1  0  0  0
 12 92  1  0  0  0
 13 14  1  0  0  0
 13 93  1  0  0  0
 13 94  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 95  1  0  0  0
 17 18  1  0  0  0
 17 52  1  0  0  0
 17 96  1  0  0  0
 18 75  1  0  0  0
 18 19  1  0  0  0
 18 97  1  0  0  0
 19 20  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 73  1  0  0  0
 22 23  1  0  0  0
 22 98  1  0  0  0
 23 24  1  0  0  0
 23 99  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 69  1  0  0  0
 26 27  1  0  0  0
 26100  1  0  0  0
 27 28  1  0  0  0
 27101  1  0  0  0
 28 30  1  0  0  0
 28 29  2  0  0  0
 30 66  1  0  0  0
 30 31  1  0  0  0
 30102  1  0  0  0
 31 32  1  0  0  0
 31103  1  0  0  0
 32 34  1  0  0  0
 32 33  2  0  0  0
 34 59  1  0  0  0
 34 35  1  0  0  0
 34104  1  0  0  0
 35 36  1  0  0  0
 35105  1  0  0  0
 36 38  1  0  0  0
 36 37  2  0  0  0
 38 55  1  0  0  0
 38 39  1  0  0  0
 38106  1  0  0  0
 39 40  1  0  0  0
 39107  1  0  0  0
 40 42  1  0  0  0
 40 41  2  0  0  0
 42 51  1  0  0  0
 42 43  2  0  0  0
 43 44  1  0  0  0
 43108  1  0  0  0
 44 45  2  0  0  0
 44 49  1  0  0  0
 45 46  1  0  0  0
 45109  1  0  0  0
 46 47  2  0  0  0
 46110  1  0  0  0
 47 48  1  0  0  0
 47 50  1  0  0  0
 48 49  2  0  0  0
 48111  1  0  0  0
 49112  1  0  0  0
 50113  1  0  0  0
 51 54  1  0  0  0
 51 52  1  0  0  0
 52 53  2  0  0  0
 54114  1  0  0  0
 54115  1  0  0  0
 54116  1  0  0  0
 55 56  1  0  0  0
 55117  1  0  0  0
 55118  1  0  0  0
 56 58  1  0  0  0
 56 57  1  0  0  0
 56119  1  0  0  0
 57120  1  0  0  0
 57121  1  0  0  0
 57122  1  0  0  0
 58123  1  0  0  0
 58124  1  0  0  0
 58125  1  0  0  0
 59 60  1  0  0  0
 59126  1  0  0  0
 59127  1  0  0  0
 60 61  2  0  0  0
 60 65  1  0  0  0
 61 62  1  0  0  0
 61128  1  0  0  0
 62 63  2  0  0  0
 62129  1  0  0  0
 63 64  1  0  0  0
 63130  1  0  0  0
 64 65  2  0  0  0
 64131  1  0  0  0
 65132  1  0  0  0
 66 68  1  0  0  0
 66 67  1  0  0  0
 66133  1  0  0  0
 67134  1  0  0  0
 67135  1  0  0  0
 67136  1  0  0  0
 68137  1  0  0  0
 69 70  1  0  0  0
 69138  1  0  0  0
 69139  1  0  0  0
 70 72  1  0  0  0
 70 71  2  0  0  0
 72140  1  0  0  0
 72141  1  0  0  0
 73 74  1  0  0  0
 73142  1  0  0  0
 73143  1  0  0  0
 74144  1  0  0  0
 75145  1  0  0  0
 75146  1  0  0  0
 75147  1  0  0  0
M  END

>  <Chemical Name>
FK 224

>  <PubChem CID>
6437864

>  <Formula>
C54H72N8O13

>  <Molecular Weight>
1041.213000

>  <IUPAC Name>
N-[(18Z)-6-(2-amino-2-oxoethyl)-12-benzyl-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-3-(2-pentylphenyl)propanamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
10

>  <Hydrogen Bond Acceptors>
13

>  <Canonical SMILES>
CCCCCC1=CC=CC=C1CCC(=O)NC2C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(=CC3=CC=C(C=C3)O)N(C2=O)C)CC(C)C)CC4=CC=CC=C4)C(C)O)CC(=O)N)CO)C

>  <Isomeric SMILES>
CCCCCC1=CC=CC=C1CCC(=O)NC2C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)/C(=C/C3=CC=C(C=C3)O)/N(C2=O)C)CC(C)C)CC4=CC=CC=C4)C(C)O)CC(=O)N)CO)C

>  <InChI Std. ID>
InChI=1S/C54H72N8O13/c1-7-8-10-17-36-18-13-14-19-37(36)22-25-45(67)60-47-33(5)75-54(74)42(30-63)59-49(69)41(29-44(55)66)58-52(72)46(32(4)64)61-50(70)40(27-34-15-11-9-12-16-34)56-48(68)39(26-31(2)3)57-51(71)43(62(6)53(47)73)28-35-20-23-38(65)24-21-35/h9,11-16,18-21,23-24,28,31-33,39-42,46-47,63-65H,7-8,10,17,22,25-27,29-30H2,1-6H3,(H2,55,66)(H,56,68)(H,57,71)(H,58,72)(H,59,69)(H,60,67)(H,61,70)/b43-28-

>  <InChI Key>
BEWCDVTWUFJSSM-MBMPTNJISA-N

