
 CHEMBL338018

120125  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL338018

>  <PubChem CID>
10373199

>  <Formula>
C46H61N7O6

>  <Molecular Weight>
808.037000

>  <IUPAC Name>


>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC(C)C1C(=O)N2CCCCC2C(=O)NC(C(=O)N(C(C(=O)N3CCCC3C(=O)NC(C(=O)N1)CC4=CC5=CC=CC=C5C=C4)CC6=CC=CC=C6)C)CCCCN

>  <Isomeric SMILES>
CC[C@H](C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N([C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](C(=O)N1)CC4=CC5=CC=CC=C5C=C4)CC6=CC=CC=C6)C)CCCCN

>  <InChI Std. ID>
InChI=1S/C46H61N7O6/c1-4-30(2)40-46(59)53-25-13-11-20-37(53)42(55)48-35(19-10-12-24-47)44(57)51(3)39(29-31-15-6-5-7-16-31)45(58)52-26-14-21-38(52)43(56)49-36(41(54)50-40)28-32-22-23-33-17-8-9-18-34(33)27-32/h5-9,15-18,22-23,27,30,35-40H,4,10-14,19-21,24-26,28-29,47H2,1-3H3,(H,48,55)(H,49,56)(H,50,54)/t30-,35-,36+,37+,38-,39+,40-/m0/s1

>  <InChI Key>
ASIBWWHGDICUFM-IVDQXPDGSA-N

