
 CHEMBL2028843

115121  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2028843

>  <PubChem CID>
70694084

>  <Formula>
C43H56N10O6

>  <Molecular Weight>
808.985000

>  <IUPAC Name>


>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
7

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1C(=O)N2CC3=CC=CC=C3CC2C(=O)N4C5CCCCC5CC4C(=O)NC(C(=O)NCCCC(=O)NC(C(=O)N1)CC6=CC7=CC=CC=C7N6)CCCN=C(N)N

>  <Isomeric SMILES>
C[C@H]1C(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)N4[C@@H](CC5C4CCCC5)C(=O)N[C@H](C(=O)NCCCC(=O)N[C@H](C(=O)N1)CC6=CC7=CC=CC=C7N6)CCCN=C(N)N

>  <InChI Std. ID>
InChI=1S/C43H56N10O6/c1-25-41(58)52-24-29-13-3-2-10-26(29)21-36(52)42(59)53-34-16-7-5-12-28(34)22-35(53)40(57)51-32(15-8-19-47-43(44)45)38(55)46-18-9-17-37(54)50-33(39(56)48-25)23-30-20-27-11-4-6-14-31(27)49-30/h2-4,6,10-11,13-14,20,25,28,32-36,49H,5,7-9,12,15-19,21-24H2,1H3,(H,46,55)(H,48,56)(H,50,54)(H,51,57)(H4,44,45,47)/t25-,28?,32-,33-,34?,35-,36+/m0/s1

>  <InChI Key>
NQUPLELIUICDKF-VRSQJKFFSA-N

