
 CID 70693082

285291  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 70693082

>  <PubChem CID>
70693082

>  <Formula>
C93H145N27O20

>  <Molecular Weight>
1961.352000

>  <IUPAC Name>


>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
24

>  <Hydrogen Bond Acceptors>
26

>  <Canonical SMILES>
CCCCC(C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2CC(CN2C1=O)O)CC3=CC=CC=C3)CCCNC(=N)N)CC4=CNC5=CC=CC=C54)C(=O)N)NC(=O)C(CNC(C)C)NC(=O)C(CC6=CN=CN6)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCC7=NN=NN7

>  <Isomeric SMILES>
CCCC[C@@H](C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]2C[C@H](CN2C1=O)O)CC3=CC=CC=C3)CCCNC(=N)N)CC4=CNC5=CC=CC=C54)C(=O)N)NC(=O)[C@H](CNC(C)C)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCC7=NN=NN7

>  <InChI Std. ID>
InChI=1S/C93H145N27O20/c1-4-5-30-66(83(129)111-69-37-39-79(125)99-40-25-24-32-65(82(95)128)107-87(133)71(47-60-50-103-64-31-23-22-29-63(60)64)112-84(130)67(33-26-41-101-93(96)97)108-86(132)70(46-59-27-18-17-19-28-59)114-91(137)75-49-62(122)54-120(75)92(69)138)109-89(135)73(52-102-58(2)3)115-88(134)72(48-61-51-98-57-105-61)113-85(131)68(36-38-76(94)123)110-90(136)74(55-121)106-80(126)53-104-81(127)56-140-45-44-139-43-42-100-78(124)35-21-16-14-12-10-8-6-7-9-11-13-15-20-34-77-116-118-119-117-77/h17-19,22-23,27-29,31,50-51,57-58,62,65-75,102-103,121-122H,4-16,20-21,24-26,30,32-49,52-56H2,1-3H3,(H2,94,123)(H2,95,128)(H,98,105)(H,99,125)(H,100,124)(H,104,127)(H,106,126)(H,107,133)(H,108,132)(H,109,135)(H,110,136)(H,111,129)(H,112,130)(H,113,131)(H,114,137)(H,115,134)(H4,96,97,101)(H,116,117,118,119)/t62-,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75+/m1/s1

>  <InChI Key>
BEGFBZSFSWOZDK-UVBMYVOISA-N

