
 CID 49850694

281284  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 49850694

>  <PubChem CID>
49850694

>  <Formula>
C87H139N31O24

>  <Molecular Weight>
2003.262000

>  <IUPAC Name>


>  <XlogP>
-10.9

>  <Hydrogen Bond Donors>
33

>  <Hydrogen Bond Acceptors>
29

>  <Canonical SMILES>
CC1C(=O)NC(C(=O)NC(C(=O)NC(CC(=O)NCCCCC(C(=O)N1)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C2CC(=O)NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CO)CCCCN)CCCNC(=N)N)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)CNC(=O)CNC(=O)C(CC4=CC=CC=C4)N)C(=O)N)CCC(=O)N)CC(=O)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](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CO)CCCCN)CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)CNC(=O)[C@H](CC4=CC=CC=C4)N)C(=O)N)CCC(=O)N)CC(=O)N

>  <InChI Std. ID>
InChI=1S/C87H139N31O24/c1-46-72(129)115-60(39-64(92)122)81(138)113-57(29-30-63(91)121)80(137)114-58(71(93)128)40-65(123)98-33-16-12-26-52(74(131)105-46)108-76(133)53(23-9-13-31-88)109-78(135)56(28-18-36-101-87(96)97)112-82(139)61-41-66(124)99-34-15-11-25-51(75(132)111-55(27-17-35-100-86(94)95)77(134)110-54(24-10-14-32-89)79(136)117-62(45-119)84(141)116-61)106-69(127)44-104-85(142)70(47(2)120)118-83(140)59(38-49-21-7-4-8-22-49)107-68(126)43-102-67(125)42-103-73(130)50(90)37-48-19-5-3-6-20-48/h3-8,19-22,46-47,50-62,70,119-120H,9-18,23-45,88-90H2,1-2H3,(H2,91,121)(H2,92,122)(H2,93,128)(H,98,123)(H,99,124)(H,102,125)(H,103,130)(H,104,142)(H,105,131)(H,106,127)(H,107,126)(H,108,133)(H,109,135)(H,110,134)(H,111,132)(H,112,139)(H,113,138)(H,114,137)(H,115,129)(H,116,141)(H,117,136)(H,118,140)(H4,94,95,100)(H4,96,97,101)/t46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,70-/m0/s1

>  <InChI Key>
MOGLXRZTMMGMRC-NJVGWAEZSA-N

