
 CHEMBL3577994

141147  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3577994

>  <PubChem CID>
122178165

>  <Formula>
C54H66N12O9

>  <Molecular Weight>
1027.197000

>  <IUPAC Name>


>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC1C(=O)NC(C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CC4=CC5=CC=CC=C5C=C4)CC6=CC=CC=C6)CCCN=C(N)N)CC7=CC=CC=C7

>  <Isomeric SMILES>
C[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N1)CC(=O)N)CC4=CC5=CC=CC=C5C=C4)CC6=CC=CC=C6)CCCN=C(N)N)CC7=CC=CC=C7

>  <InChI Std. ID>
InChI=1S/C54H66N12O9/c1-32-46(68)64-42(29-34-15-6-3-7-16-34)52(74)66-26-12-21-44(66)53(75)65-25-11-20-43(65)51(73)60-38(19-10-24-58-54(56)57)47(69)61-39(28-33-13-4-2-5-14-33)49(71)62-40(50(72)63-41(31-45(55)67)48(70)59-32)30-35-22-23-36-17-8-9-18-37(36)27-35/h2-9,13-18,22-23,27,32,38-44H,10-12,19-21,24-26,28-31H2,1H3,(H2,55,67)(H,59,70)(H,60,73)(H,61,69)(H,62,71)(H,63,72)(H,64,68)(H4,56,57,58)/t32-,38-,39-,40?,41-,42-,43-,44+/m0/s1

>  <InChI Key>
DNVIWLKKWIYAKK-JHQNEBCVSA-N

