
 CID 53364285

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

>  <Chemical Name>
CID 53364285

>  <PubChem CID>
53364285

>  <Formula>
C92H137N27O25

>  <Molecular Weight>
2021.272000

>  <IUPAC Name>


>  <XlogP>
-10.6

>  <Hydrogen Bond Donors>
32

>  <Hydrogen Bond Acceptors>
30

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CO)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC4=CC=CC=C4)C(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)N

>  <Isomeric SMILES>
CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)N

>  <InChI Std. ID>
InChI=1S/C92H137N27O25/c1-51(2)40-64(115-84(138)62(33-35-76(129)130)109-78(132)57(95)32-34-75(127)128)85(139)117-68(45-71(96)123)80(134)106-48-74(126)108-66(44-55-28-30-56(122)31-29-55)87(141)118-69(49-120)89(143)113-60(26-16-38-102-91(98)99)82(136)111-59(25-13-15-37-94)81(135)110-58(24-12-14-36-93)79(133)105-46-72(124)104-47-73(125)107-65(42-53-20-8-4-9-21-53)86(140)119-70(50-121)90(144)116-67(43-54-22-10-5-11-23-54)88(142)112-61(27-17-39-103-92(100)101)83(137)114-63(77(97)131)41-52-18-6-3-7-19-52/h3-11,18-23,28-31,51,57-70,120-122H,12-17,24-27,32-50,93-95H2,1-2H3,(H2,96,123)(H2,97,131)(H,104,124)(H,105,133)(H,106,134)(H,107,125)(H,108,126)(H,109,132)(H,110,135)(H,111,136)(H,112,142)(H,113,143)(H,114,137)(H,115,138)(H,116,144)(H,117,139)(H,118,141)(H,119,140)(H,127,128)(H,129,130)(H4,98,99,102)(H4,100,101,103)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1

>  <InChI Key>
DMKDQJDMYCDTPK-ZNTUHGOWSA-N

