
 BDBM50284278

332337  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50284278

>  <PubChem CID>
77282160

>  <Formula>
C109H159N27O32S5

>  <Molecular Weight>
2519.928000

>  <IUPAC Name>


>  <XlogP>
-6.7

>  <Hydrogen Bond Donors>
37

>  <Hydrogen Bond Acceptors>
41

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC4=CN=CN4)NC(=O)C(CS)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CC6=CC=C(C=C6)O)NC(=O)C(C(C)C)NC(=O)C(CS)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CS)NC(=O)C(CO)NC(=O)C(CS)N

>  <Isomeric SMILES>
CC[C@@H](C)[C@@H](C(=O)N[C@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CS)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CS)N

>  <InChI Std. ID>
InChI=1S/C109H159N27O32S5/c1-10-56(8)88(108(166)127-74(38-61-43-113-52-116-61)98(156)128-77(109(167)168)36-59-41-114-65-21-15-14-20-63(59)65)136-100(158)76(40-86(145)146)125-94(152)70(33-54(4)5)120-97(155)73(37-60-42-112-51-115-60)123-104(162)81(48-170)133-96(154)71(34-57-18-12-11-13-19-57)122-95(153)72(35-58-23-25-62(140)26-24-58)126-107(165)87(55(6)7)135-106(164)83(50-172)132-91(149)67(27-28-84(141)142)118-90(148)66(22-16-17-30-110)117-99(157)75(39-85(143)144)124-92(150)68(29-31-173-9)119-93(151)69(32-53(2)3)121-101(159)79(45-138)130-102(160)80(46-139)131-105(163)82(49-171)134-103(161)78(44-137)129-89(147)64(111)47-169/h11-15,18-21,23-26,41-43,51-56,64,66-83,87-88,114,137-140,169-172H,10,16-17,22,27-40,44-50,110-111H2,1-9H3,(H,112,115)(H,113,116)(H,117,157)(H,118,148)(H,119,151)(H,120,155)(H,121,159)(H,122,153)(H,123,162)(H,124,150)(H,125,152)(H,126,165)(H,127,166)(H,128,156)(H,129,147)(H,130,160)(H,131,163)(H,132,149)(H,133,154)(H,134,161)(H,135,164)(H,136,158)(H,141,142)(H,143,144)(H,145,146)(H,167,168)/t56-,64+,66+,67+,68+,69+,70+,71+,72+,73+,74-,75+,76+,77+,78+,79+,80+,81+,82+,83+,87+,88+/m1/s1

>  <InChI Key>
BGWZWWRAXKZMOC-PEDQCAFHSA-N

