
 CHEMBL2028848

106111  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2028848

>  <PubChem CID>
70689879

>  <Formula>
C38H51N9O7S

>  <Molecular Weight>
777.942000

>  <IUPAC Name>


>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
7

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1C(=O)NC(C(=O)NC(C(=O)N2CC3=CC=CC=C3CC2C(=O)N4C5CCCCC5CC4C(=O)NC(C(=O)N1)CCCN=C(N)N)CO)CC6=CC=CS6

>  <Isomeric SMILES>
C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)N4[C@@H](CC5C4CCCC5)C(=O)N[C@H](C(=O)N1)CCCN=C(N)N)CO)CC6=CC=CS6

>  <InChI Std. ID>
InChI=1S/C38H51N9O7S/c1-21-32(49)44-27(18-25-11-7-15-55-25)34(51)45-28(20-48)36(53)46-19-24-10-3-2-8-22(24)16-31(46)37(54)47-29-13-5-4-9-23(29)17-30(47)35(52)43-26(33(50)42-21)12-6-14-41-38(39)40/h2-3,7-8,10-11,15,21,23,26-31,48H,4-6,9,12-14,16-20H2,1H3,(H,42,50)(H,43,52)(H,44,49)(H,45,51)(H4,39,40,41)/t21-,23?,26-,27-,28-,29?,30-,31+/m0/s1

>  <InChI Key>
IBICZXAWQIYOEV-SDWZWAOTSA-N

