
 BDBM85204

239246  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM85204

>  <PubChem CID>
91898933

>  <Formula>
C84H115N21O19

>  <Molecular Weight>
1722.972000

>  <IUPAC Name>


>  <XlogP>
-0.9

>  <Hydrogen Bond Donors>
22

>  <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=CNC4=CC=CC=C43)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(C)NC(=O)C(C(C)O)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CC7=CNC8=CC=CC=C87)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)C(=O)N[C@@H](C)C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N5CCC[C@H]5C(=O)N[C@@H](CC6=CN=CN6)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)CN)O

>  <InChI Std. ID>
InChI=1S/C84H115N21O19/c1-41(2)26-58(73(112)91-39-69(110)105-25-17-24-66(105)81(120)101-64(32-51-38-87-40-92-51)74(113)94-45(8)84(123)124)97-75(114)59(27-42(3)4)98-78(117)63(31-50-37-90-57-23-16-13-20-54(50)57)99-77(116)62(30-49-36-89-56-22-15-12-19-53(49)56)96-72(111)44(7)93-82(121)70(46(9)106)103-80(119)65(33-67(86)108)100-76(115)60(28-43(5)6)102-83(122)71(47(10)107)104-79(118)61(95-68(109)34-85)29-48-35-88-55-21-14-11-18-52(48)55/h11-16,18-23,35-38,40-47,58-66,70-71,88-90,106-107H,17,24-34,39,85H2,1-10H3,(H2,86,108)(H,87,92)(H,91,112)(H,93,121)(H,94,113)(H,95,109)(H,96,111)(H,97,114)(H,98,117)(H,99,116)(H,100,115)(H,101,120)(H,102,122)(H,103,119)(H,104,118)(H,123,124)/t44-,45-,46?,47+,58-,59-,60-,61-,62+,63+,64-,65-,66-,70+,71-/m0/s1

>  <InChI Key>
HQNBXAAQODTCQJ-BLYXYECMSA-N

