
 CHEMBL2372087

136140  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2372087

>  <PubChem CID>
14735089

>  <Formula>
C45H70N8O13

>  <Molecular Weight>
931.098000

>  <IUPAC Name>


>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
7

>  <Hydrogen Bond Acceptors>
15

>  <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)OCC5=CC=CC=C5)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)OCC5=CC=CC=C5)C)O)C)C(C)C)O)O

>  <InChI Std. ID>
InChI=1S/C45H70N8O13/c1-9-27(4)23-32-19-20-45(62,66-30(32)7)44(8,61)43(60)49-36-37(26(2)3)65-42(59)29(6)52(63)39(56)33-17-13-21-47-50(33)35(54)24-46-38(55)28(5)53(64-25-31-15-11-10-12-16-31)40(57)34-18-14-22-48-51(34)41(36)58/h10-12,15-16,26-30,32-34,36-37,47-48,61-63H,9,13-14,17-25H2,1-8H3,(H,46,55)(H,49,60)/t27-,28-,29+,30+,32+,33-,34+,36-,37-,44+,45+/m0/s1

>  <InChI Key>
DEZVAKJACVDRBV-DWHNIGDHSA-N

