
 BDBM50003047

334339  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50003047

>  <PubChem CID>
91928646

>  <Formula>
C108H163N35O28

>  <Molecular Weight>
2399.709000

>  <IUPAC Name>


>  <XlogP>
-6.2

>  <Hydrogen Bond Donors>
41

>  <Hydrogen Bond Acceptors>
34

>  <Canonical SMILES>
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CCC(=O)NC(C(=O)N1)(C)NC(=O)C(CC(=O)N)NC(=O)C(C(C)CC)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC6=CC=C(C=C6)O)C(=O)O)CCCNC(=N)N)C(C)O

>  <Isomeric SMILES>
CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)N[C@@](C(=O)N1)(C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)O)CCCNC(=N)N)[C@@H](C)O

>  <InChI Std. ID>
InChI=1S/C108H163N35O28/c1-11-53(5)82(99(166)136-77(48-80(110)150)98(165)143-108(10)103(171)141-83(54(6)12-2)100(167)140-84(57(9)145)101(168)130-69(18-15-40-122-106(115)116)87(154)128-70(35-36-81(151)142-108)90(157)127-68(17-14-39-121-105(113)114)89(156)137-78(102(169)170)46-61-25-33-66(149)34-26-61)139-96(163)75(45-60-23-31-65(148)32-24-60)134-95(162)76(47-62-49-119-51-124-62)135-91(158)71(37-41-123-107(117)118)129-92(159)72(42-52(3)4)131-86(153)56(8)125-97(164)79(50-144)138-94(161)74(44-59-21-29-64(147)30-22-59)133-93(160)73(43-58-19-27-63(146)28-20-58)132-88(155)67(126-85(152)55(7)109)16-13-38-120-104(111)112/h19-34,49,51-57,67-79,82-84,144-149H,11-18,35-48,50,109H2,1-10H3,(H2,110,150)(H,119,124)(H,125,164)(H,126,152)(H,127,157)(H,128,154)(H,129,159)(H,130,168)(H,131,153)(H,132,155)(H,133,160)(H,134,162)(H,135,158)(H,136,166)(H,137,156)(H,138,161)(H,139,163)(H,140,167)(H,141,171)(H,142,151)(H,143,165)(H,169,170)(H4,111,112,120)(H4,113,114,121)(H4,115,116,122)(H4,117,118,123)/t53-,54-,55-,56-,57+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,82-,83-,84+,108-/m0/s1

>  <InChI Key>
ANYAVUDKSCRXKN-CJVXONMJSA-N

