
 BDBM50284276

332336  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50284276

>  <PubChem CID>
77282158

>  <Formula>
C108H160N26O33S5

>  <Molecular Weight>
2510.917000

>  <IUPAC Name>


>  <XlogP>
-7.6

>  <Hydrogen Bond Donors>
37

>  <Hydrogen Bond Acceptors>
41

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CN=CN3)NC(=O)C(CS)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=C(C=C5)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](CCC(=O)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CS)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=C(C=C5)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/C108H160N26O33S5/c1-10-55(8)87(107(165)118-65(27-29-82(111)139)90(148)126-75(108(166)167)38-58-42-113-63-21-15-14-20-61(58)63)134-99(157)74(41-85(144)145)124-94(152)69(35-53(4)5)119-97(155)72(39-59-43-112-51-114-59)122-103(161)79(48-169)131-96(154)70(36-56-18-12-11-13-19-56)121-95(153)71(37-57-23-25-60(138)26-24-57)125-106(164)86(54(6)7)133-105(163)81(50-171)130-91(149)66(28-30-83(140)141)116-89(147)64(22-16-17-32-109)115-98(156)73(40-84(142)143)123-92(150)67(31-33-172-9)117-93(151)68(34-52(2)3)120-100(158)77(45-136)128-101(159)78(46-137)129-104(162)80(49-170)132-102(160)76(44-135)127-88(146)62(110)47-168/h11-15,18-21,23-26,42-43,51-55,62,64-81,86-87,113,135-138,168-171H,10,16-17,22,27-41,44-50,109-110H2,1-9H3,(H2,111,139)(H,112,114)(H,115,156)(H,116,147)(H,117,151)(H,118,165)(H,119,155)(H,120,158)(H,121,153)(H,122,161)(H,123,150)(H,124,152)(H,125,164)(H,126,148)(H,127,146)(H,128,159)(H,129,162)(H,130,149)(H,131,154)(H,132,160)(H,133,163)(H,134,157)(H,140,141)(H,142,143)(H,144,145)(H,166,167)/t55-,62+,64+,65-,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,86+,87+/m1/s1

>  <InChI Key>
DMTVLRILUGXZNL-LSUQCDQXSA-N

