
 Lopac-N-1771

 92104  0  0  0  0  0  0  0  0999 V2000
    1.1892   -4.7112    2.5595 C   0  0  0  0  0
    2.6091   -5.1825    2.6692 C   0  0  0  0  0
    2.2510   -4.1156    1.6649 C   0  0  0  0  0
    2.6792   -2.6959    1.8937 C   0  0  0  0  0
    3.6244   -2.2412    0.8681 N   0  0  0  0  0
    4.9401   -2.9048    0.9200 C   0  0  0  0  0
    6.0563   -2.2354    1.7553 C   0  0  0  0  0
    6.0750   -0.6965    1.5833 C   0  0  0  0  0
    7.3062   -0.0036    2.2158 C   0  0  0  0  0
    7.0052    1.4504    2.4551 C   0  0  0  0  0
    5.7469    1.9770    2.6659 C   0  0  0  0  0
    4.5009    1.3492    2.1574 C   0  0  0  0  0
    4.6670   -0.1727    1.9657 C   0  0  0  0  0
    3.7145   -0.7486    0.8424 C   0  0  0  0  0
    4.1168   -0.2975   -0.6200 C   0  0  0  0  0
    5.5959   -0.2583   -0.8953 C   0  0  0  0  0
    6.4507   -0.3763    0.1770 C   0  0  0  0  0
    7.8116   -0.1647    0.0759 C   0  0  0  0  0
    8.4075    0.0437   -1.1429 C   0  0  0  0  0
    7.5923    0.1000   -2.2700 C   0  0  0  0  0
    6.1863   -0.0245   -2.1431 C   0  0  0  0  0
    9.7537    0.2172   -1.2567 O   0  0  0  0  0
    8.4331   -0.1080    1.2985 O   0  0  0  0  0
    4.2981   -0.7089    3.2646 O   0  0  0  0  0
    5.9885    3.1835    3.3367 C   0  0  0  0  0
    7.1850    3.6736    2.6541 C   0  0  0  0  0
    7.8487    2.5238    2.2651 N   0  0  0  0  0
    7.8568    5.1769    2.5189 C   0  0  0  0  0
    6.8211    6.5455    3.0680 C   0  0  0  0  0
    7.6135    7.5426    3.8364 C   0  0  0  0  0
    7.6422    6.6880    5.0478 C   0  0  0  0  0
    6.7814    5.4062    4.7100 N   0  0  0  0  0
    5.5937    5.5633    3.1365 C   0  0  0  0  0
    5.4496    5.8914    4.4144 C   0  0  0  0  0
    4.9321    4.1088    4.3984 C   0  0  0  0  0
    4.4645    6.7436    4.9333 O   0  0  0  0  0
    4.5037    6.8358    2.5137 C   0  0  0  0  0
    5.2462    7.2005    1.2862 C   0  0  0  0  0
    6.5646    6.9643    1.5964 C   0  0  0  0  0
    7.3318    6.3404    0.6391 C   0  0  0  0  0
    6.9421    6.3853   -0.6987 C   0  0  0  0  0
    5.6894    6.9222   -1.0357 C   0  0  0  0  0
    4.7948    7.2766   -0.0223 C   0  0  0  0  0
    7.7158    5.7867   -1.6502 O   0  0  0  0  0
    8.2255    5.4114    1.1246 O   0  0  0  0  0
    7.5367    4.2479    5.3383 C   0  0  0  0  0
    7.6389    4.3902    6.8511 C   0  0  0  0  0
    6.8364    3.5079    7.7765 C   0  0  0  0  0
    8.3133    3.2814    7.6270 C   0  0  0  0  0
    0.4643   -5.3788    2.1084 H   0  0  0  0  0
    0.7889   -4.0996    3.3599 H   0  0  0  0  0
    2.8534   -6.1693    2.2935 H   0  0  0  0  0
    3.1719   -4.8941    3.5516 H   0  0  0  0  0
    2.1941   -4.3764    0.6144 H   0  0  0  0  0
    3.0701   -2.5879    2.9079 H   0  0  0  0  0
    1.7645   -2.0921    1.8338 H   0  0  0  0  0
    4.8463   -3.9502    1.2368 H   0  0  0  0  0
    5.2961   -2.9799   -0.1156 H   0  0  0  0  0
    5.9141   -2.4911    2.8129 H   0  0  0  0  0
    7.0184   -2.6787    1.4675 H   0  0  0  0  0
    7.5863   -0.4722    3.1667 H   0  0  0  0  0
    3.6664    1.5734    2.8325 H   0  0  0  0  0
    4.2726    1.8328    1.2003 H   0  0  0  0  0
    2.7042   -0.3507    1.0023 H   0  0  0  0  0
    3.6255   -0.9432   -1.3599 H   0  0  0  0  0
    3.7291    0.7172   -0.7839 H   0  0  0  0  0
    8.0384    0.2730   -3.2429 H   0  0  0  0  0
    5.5684    0.0721   -3.0329 H   0  0  0  0  0
   10.1087    0.1255   -0.3506 H   0  0  0  0  0
    4.8374   -0.2536    3.9363 H   0  0  0  0  0
    8.7738    2.4851    1.8536 H   0  0  0  0  0
    8.8024    5.1820    3.0757 H   0  0  0  0  0
    7.0687    8.4781    3.9907 H   0  0  0  0  0
    8.6016    7.7441    3.4145 H   0  0  0  0  0
    7.2122    7.1952    5.9196 H   0  0  0  0  0
    8.6809    6.4214    5.2797 H   0  0  0  0  0
    5.0894    4.7587    2.5901 H   0  0  0  0  0
    3.8948    4.0168    4.0389 H   0  0  0  0  0
    4.9828    3.6899    5.4104 H   0  0  0  0  0
    4.5705    6.6761    5.8972 H   0  0  0  0  0
    3.5197    6.3917    2.3403 H   0  0  0  0  0
    4.4249    7.7576    3.1040 H   0  0  0  0  0
    5.3423    6.9285   -2.0651 H   0  0  0  0  0
    3.7464    7.4649   -0.2453 H   0  0  0  0  0
    7.2102    5.7419   -2.4771 H   0  0  0  0  0
    8.5618    4.2042    4.9511 H   0  0  0  0  0
    7.1211    3.2513    5.2108 H   0  0  0  0  0
    7.8750    5.3897    7.1911 H   0  0  0  0  0
    6.1703    2.7651    7.3513 H   0  0  0  0  0
    6.4809    3.9385    8.7055 H   0  0  0  0  0
    8.9589    3.5591    8.4516 H   0  0  0  0  0
    8.6398    2.3964    7.0920 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 50  1  0  0  0
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  2  3  1  0  0  0
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  5 14  1  0  0  0
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 49 92  1  0  0  0
M  END

>  <Chemical Name>
Lopac-N-1771

>  <PubChem CID>
6603943

>  <Formula>
C40H43N3O6

>  <Molecular Weight>
661.799000

>  <IUPAC Name>


>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C9C12CCN(C(C1(C8)O)CC1=C2C(=C(C=C1)O)O9)CC1CC1

>  <Isomeric SMILES>
C1CC1CN2CC[C@]34[C@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)[C@H]9[C@@]12CCN([C@H]([C@]1(C8)O)CC1=C2C(=C(C=C1)O)O9)CC1CC1

>  <InChI Std. ID>
InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28+,35-,36+,37-,38-,39-,40+/m0/s1

>  <InChI Key>
APSUXPSYBJVPPS-XJBJIUMVSA-N

