
 CID 70682339

280285  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 70682339

>  <PubChem CID>
70682339

>  <Formula>
C91H139N31O19

>  <Molecular Weight>
1971.311000

>  <IUPAC Name>


>  <XlogP>
-4.5

>  <Hydrogen Bond Donors>
34

>  <Hydrogen Bond Acceptors>
24

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C

>  <Isomeric SMILES>
C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)C

>  <InChI Std. ID>
InChI=1S/C91H139N31O19/c1-47(2)36-66(76(129)108-44-73(126)112-67(37-48(3)4)81(134)110-49(5)74(127)117-65(87(140)141)30-19-35-104-91(99)100)118-79(132)61(26-14-15-31-92)115-85(138)71(45-123)121-75(128)50(6)109-77(130)62(27-16-32-101-88(93)94)114-83(136)69(39-53-42-106-59-24-12-9-21-56(53)59)119-80(133)64(29-18-34-103-90(97)98)113-78(131)63(28-17-33-102-89(95)96)116-86(139)72(46-124)122-84(137)70(40-54-43-107-60-25-13-10-22-57(54)60)120-82(135)68(111-51(7)125)38-52-41-105-58-23-11-8-20-55(52)58/h8-13,20-25,41-43,47-50,61-72,105-107,123-124H,14-19,26-40,44-46,92H2,1-7H3,(H,108,129)(H,109,130)(H,110,134)(H,111,125)(H,112,126)(H,113,131)(H,114,136)(H,115,138)(H,116,139)(H,117,127)(H,118,132)(H,119,133)(H,120,135)(H,121,128)(H,122,137)(H,140,141)(H4,93,94,101)(H4,95,96,102)(H4,97,98,103)(H4,99,100,104)/t49-,50-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1

>  <InChI Key>
NLYXTESQVJNSNF-JCBPFGPDSA-N

