
 CID 49850693

251254  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 49850693

>  <PubChem CID>
49850693

>  <Formula>
C79H128N26O18

>  <Molecular Weight>
1730.057000

>  <IUPAC Name>


>  <XlogP>
-4.7

>  <Hydrogen Bond Donors>
27

>  <Hydrogen Bond Acceptors>
23

>  <Canonical SMILES>
CC1C(=O)NC(C(=O)NC(C(=O)NC(CC(=O)NCCCCC(C(=O)N1)NC(=O)C(C(C)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)C(CC3=CC=CC=C3)N)C(=O)NC4CCCCNC(=O)CC(NC(=O)C(NC(=O)C(NC(=O)C(NC4=O)CCCNC(=N)N)CCCCN)CC(C)C)C(=O)N)CCCCN)CCCNC(=N)N

>  <Isomeric SMILES>
C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)NCCCC[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)[C@H](CC3=CC=CC=C3)N)C(=O)N[C@H]4CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC4=O)CCCNC(=N)N)CCCCN)CC(C)C)C(=O)N)CCCCN)CCCNC(=N)N

>  <InChI Std. ID>
InChI=1S/C79H128N26O18/c1-44(2)37-57-74(120)102-56(65(83)111)40-60(107)88-33-18-14-28-53(69(115)99-55(30-20-36-91-79(86)87)71(117)98-51(72(118)103-57)25-11-15-31-80)100-75(121)59-41-61(108)89-34-17-13-27-50(68(114)94-45(3)66(112)96-54(29-19-35-90-78(84)85)70(116)97-52(73(119)104-59)26-12-16-32-81)101-77(123)64(46(4)106)105-76(122)58(39-48-23-9-6-10-24-48)95-63(110)43-92-62(109)42-93-67(113)49(82)38-47-21-7-5-8-22-47/h5-10,21-24,44-46,49-59,64,106H,11-20,25-43,80-82H2,1-4H3,(H2,83,111)(H,88,107)(H,89,108)(H,92,109)(H,93,113)(H,94,114)(H,95,110)(H,96,112)(H,97,116)(H,98,117)(H,99,115)(H,100,121)(H,101,123)(H,102,120)(H,103,118)(H,104,119)(H,105,122)(H4,84,85,90)(H4,86,87,91)/t45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,64-/m0/s1

>  <InChI Key>
ONJWGNLSOYAYSU-QPOCQCQGSA-N

