
 BDBM50203804

227231  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50203804

>  <PubChem CID>
91970994

>  <Formula>
C75H110N24O18

>  <Molecular Weight>
1635.855000

>  <IUPAC Name>


>  <XlogP>
-5.700

>  <Hydrogen Bond Donors>
23

>  <Hydrogen Bond Acceptors>
21

>  <Canonical SMILES>
CC(C)CC(C(=O)N1CCCC1C(=O)NC(CC(=O)N)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(=O)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CC5=CC=CC=C5)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)N)N

>  <Isomeric SMILES>
CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)N

>  <InChI Std. ID>
InChI=1S/C75H110N24O18/c1-38(2)27-45(76)73(117)99-26-12-19-57(99)72(116)97-55(34-60(79)104)69(113)93-51(30-41-20-22-43(101)23-21-41)66(110)95-53(32-58(77)102)68(112)94-52(31-42-35-87-46-16-9-8-15-44(42)46)67(111)96-54(33-59(78)103)70(114)98-56(37-100)71(115)92-50(29-40-13-6-5-7-14-40)63(107)88-36-61(105)89-49(28-39(3)4)65(109)91-48(18-11-25-86-75(83)84)64(108)90-47(62(80)106)17-10-24-85-74(81)82/h5-9,13-16,20-23,35,38-39,45,47-57,87,100-101H,10-12,17-19,24-34,36-37,76H2,1-4H3,(H2,77,102)(H2,78,103)(H2,79,104)(H2,80,106)(H,88,107)(H,89,105)(H,90,108)(H,91,109)(H,92,115)(H,93,113)(H,94,112)(H,95,110)(H,96,111)(H,97,116)(H,98,114)(H4,81,82,85)(H4,83,84,86)/t45-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1

>  <InChI Key>
ACYFXTRDZDRFKU-TZMVSQBHSA-N

