
 CHEMBL3577985

138143  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3577985

>  <PubChem CID>
122178155

>  <Formula>
C51H66N12O9

>  <Molecular Weight>
991.164000

>  <IUPAC Name>


>  <XlogP>
1.0

>  <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=CC=CC=C4)CCC5=CC=CC=C5)CCCN=C(N)N)CC6=CC=CC=C6

>  <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)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CC4=CC=CC=C4)CCC5=CC=CC=C5)CCCN=C(N)N)CC6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C51H66N12O9/c1-31-43(65)61-39(29-34-18-9-4-10-19-34)49(71)63-27-13-22-41(63)50(72)62-26-12-21-40(62)48(70)58-35(20-11-25-55-51(53)54)44(66)57-36(24-23-32-14-5-2-6-15-32)45(67)59-37(28-33-16-7-3-8-17-33)47(69)60-38(30-42(52)64)46(68)56-31/h2-10,14-19,31,35-41H,11-13,20-30H2,1H3,(H2,52,64)(H,56,68)(H,57,66)(H,58,70)(H,59,67)(H,60,69)(H,61,65)(H4,53,54,55)/t31-,35-,36?,37-,38-,39-,40-,41+/m0/s1

>  <InChI Key>
ABDZRUUUDYEBLY-UZKRJQGBSA-N

