
 CHEMBL385105

211216  0  0  0  0  0  0  0  0999 V2000
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111211  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL385105

>  <PubChem CID>
44419644

>  <Formula>
C75H100N18O18

>  <Molecular Weight>
1541.733000

>  <IUPAC Name>


>  <XlogP>
-1.700

>  <Hydrogen Bond Donors>
19

>  <Hydrogen Bond Acceptors>
19

>  <Canonical SMILES>
CC(C)CC(C(=O)N1CCCC1C(=O)NC(CC(=O)N)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(=O)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CC5=CC=CC=C5)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC6=CC=CC=C6)C(=O)N)N

>  <Isomeric SMILES>
C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC(C)C)N

>  <InChI Std. ID>
InChI=1S/C75H100N18O18/c1-39(2)27-48(76)75(111)93-26-14-21-59(93)74(110)91-57(35-62(79)98)71(107)87-53(31-44-22-24-46(95)25-23-44)68(104)89-55(33-60(77)96)70(106)88-54(32-45-36-81-49-20-13-12-19-47(45)49)69(105)90-56(34-61(78)97)72(108)92-58(38-94)73(109)86-52(30-43-17-10-7-11-18-43)66(102)82-37-63(99)84-51(28-40(3)4)67(103)83-41(5)65(101)85-50(64(80)100)29-42-15-8-6-9-16-42/h6-13,15-20,22-25,36,39-41,48,50-59,81,94-95H,14,21,26-35,37-38,76H2,1-5H3,(H2,77,96)(H2,78,97)(H2,79,98)(H2,80,100)(H,82,102)(H,83,103)(H,84,99)(H,85,101)(H,86,109)(H,87,107)(H,88,106)(H,89,104)(H,90,105)(H,91,110)(H,92,108)/t41-,48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1

>  <InChI Key>
ADIXEVXADNNEHE-SLYQSURSSA-N

