
 Lopac-D-2763

 89 95  0  0  0  0  0  0  0  0999 V2000
    3.8043    3.8655    2.6562 C   0  0  0  0  0
    2.7817    3.3003    1.6712 C   0  0  0  0  0
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    3.1756   -1.9238   -3.4063 O   0  0  0  0  0
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    4.2353    4.8038    2.2866 H   0  0  0  0  0
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    2.5678    1.7449    3.0910 H   0  0  0  0  0
    0.9306    0.2749    3.3897 H   0  0  0  0  0
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    2.2738   -0.9737    0.9995 H   0  0  0  0  0
    0.6201   -2.6786    1.0668 H   0  0  0  0  0
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    0.4416   -1.5665   -4.2883 H   0  0  0  0  0
    2.5046    1.0308   -2.0988 H   0  0  0  0  0
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M  END

>  <Chemical Name>
Lopac-D-2763

>  <PubChem CID>
6604095

>  <Formula>
C34H41N5O8S

>  <Molecular Weight>
679.789000

>  <IUPAC Name>


>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O

>  <Isomeric SMILES>
C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@@H]3[C@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5C[C@@H]6[C@H](CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O

>  <InChI Std. ID>
InChI=1S/C33H37N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,23-,25-,26-,27+,32+,33+;/m0./s1

>  <InChI Key>
ADYPXRFPBQGGAH-ITGAKCKCSA-N

