
 CID 73443032

236243  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 73443032

>  <PubChem CID>
73443032

>  <Formula>
C90H112N18O16

>  <Molecular Weight>
1701.996000

>  <IUPAC Name>


>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
18

>  <Hydrogen Bond Acceptors>
19

>  <Canonical SMILES>
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(CCCNC(=NC(=O)NCCOCCOCCNC(=O)C3=CC=C(C=C3)C(=O)NCCN(CCN)CCNC(=O)C4=CC=C(C=C4)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCCC(C(=O)NCC5=CC=C(C=C5)O)NC(=O)C(C6=CC=CC=C6)C7=CC=CC=C7)N)C(=O)NCC8=CC=C(C=C8)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N[C@@H](CCCN/C(=N\C(=O)NCCOCCOCCNC(=O)C3=CC=C(C=C3)C(=O)NCCN(CCN)CCNC(=O)C4=CC=C(C=C4)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@@H](C(=O)NCC5=CC=C(C=C5)O)NC(=O)C(C6=CC=CC=C6)C7=CC=CC=C7)/N)C(=O)NCC8=CC=C(C=C8)O

>  <InChI Std. ID>
InChI=1S/C90H112N18O16/c91-41-50-108(51-44-94-79(111)69-29-33-71(34-30-69)81(113)96-46-53-121-57-59-123-55-48-100-89(119)106-87(92)98-42-13-23-75(83(115)102-61-63-25-37-73(109)38-26-63)104-85(117)77(65-15-5-1-6-16-65)66-17-7-2-8-18-66)52-45-95-80(112)70-31-35-72(36-32-70)82(114)97-47-54-122-58-60-124-56-49-101-90(120)107-88(93)99-43-14-24-76(84(116)103-62-64-27-39-74(110)40-28-64)105-86(118)78(67-19-9-3-10-20-67)68-21-11-4-12-22-68/h1-12,15-22,25-40,75-78,109-110H,13-14,23-24,41-62,91H2,(H,94,111)(H,95,112)(H,96,113)(H,97,114)(H,102,115)(H,103,116)(H,104,117)(H,105,118)(H4,92,98,100,106,119)(H4,93,99,101,107,120)/t75-,76-/m0/s1

>  <InChI Key>
LWSIXIMCXWLGDB-KAUZTFBMSA-N

