
 BDBM85201

232238  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM85201

>  <PubChem CID>
91898931

>  <Formula>
C81H112N20O19

>  <Molecular Weight>
1669.908000

>  <IUPAC Name>


>  <XlogP>
-0.8

>  <Hydrogen Bond Donors>
21

>  <Hydrogen Bond Acceptors>
21

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCCC1C(=O)NC(CC2=CN=CN2)C(=O)NC(C)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CC6=CNC7=CC=CC=C76)NC(=O)CN

>  <Isomeric SMILES>
C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CN=CN5)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)CN)O

>  <InChI Std. ID>
InChI=1S/C81H112N20O19/c1-40(2)26-56(71(109)87-38-67(106)101-25-15-20-64(101)79(117)98-62(32-50-37-84-39-88-50)72(110)91-45(9)81(119)120)94-74(112)57(27-41(3)4)95-76(114)59(29-47-21-23-51(103)24-22-47)96-77(115)61(31-49-36-86-55-19-14-12-17-53(49)55)93-70(108)44(8)89-69(107)43(7)90-73(111)63(33-65(83)104)97-75(113)58(28-42(5)6)99-80(118)68(46(10)102)100-78(116)60(92-66(105)34-82)30-48-35-85-54-18-13-11-16-52(48)54/h11-14,16-19,21-24,35-37,39-46,56-64,68,85-86,102-103H,15,20,25-34,38,82H2,1-10H3,(H2,83,104)(H,84,88)(H,87,109)(H,89,107)(H,90,111)(H,91,110)(H,92,105)(H,93,108)(H,94,112)(H,95,114)(H,96,115)(H,97,113)(H,98,117)(H,99,118)(H,100,116)(H,119,120)/t43-,44-,45-,46+,56-,57-,58-,59-,60-,61+,62-,63-,64-,68-/m0/s1

>  <InChI Key>
ZYMHSZMNDHCIME-AQJZISFMSA-N

