
 CHEMBL2372064

140143  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2372064

>  <PubChem CID>
73348648

>  <Formula>
C44H74N8O14

>  <Molecular Weight>
939.118000

>  <IUPAC Name>


>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
7

>  <Hydrogen Bond Acceptors>
16

>  <Canonical SMILES>
CCC(C)CC1CCC(OC1C)(C(C)(C(=O)NC2C(OC(=O)C(N(C(=O)C3CCCNN3C(=O)CNC(=O)C(N(C(=O)C4CCCNN4C2=O)CC(=O)OC(C)(C)C)C)O)C)C(C)C)O)O

>  <Isomeric SMILES>
CC[C@H](C)C[C@H]1CC[C@@](O[C@@H]1C)([C@@](C)(C(=O)N[C@H]2[C@@H](OC(=O)[C@H](N(C(=O)[C@@H]3CCCNN3C(=O)CNC(=O)[C@@H](N(C(=O)[C@H]4CCCNN4C2=O)CC(=O)OC(C)(C)C)C)O)C)C(C)C)O)O

>  <InChI Std. ID>
InChI=1S/C44H74N8O14/c1-12-25(4)21-29-17-18-44(62,65-28(29)7)43(11,61)41(60)48-34-35(24(2)3)64-40(59)27(6)52(63)38(57)31-16-14-19-46-50(31)32(53)22-45-36(55)26(5)49(23-33(54)66-42(8,9)10)37(56)30-15-13-20-47-51(30)39(34)58/h24-31,34-35,46-47,61-63H,12-23H2,1-11H3,(H,45,55)(H,48,60)/t25-,26-,27+,28+,29+,30+,31-,34-,35-,43+,44+/m0/s1

>  <InChI Key>
COODKPSWHSRDLL-MRYXGRAWSA-N

