
 CID 44363770

225231  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 44363770

>  <PubChem CID>
44363770

>  <Formula>
C79H109N23O14

>  <Molecular Weight>
1604.888000

>  <IUPAC Name>


>  <XlogP>
0.7

>  <Hydrogen Bond Donors>
21

>  <Hydrogen Bond Acceptors>
18

>  <Canonical SMILES>
CCCCC(C(=O)NC1CC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC2=CNC=N2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=CNC5=CC=CC=C54)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC6=CC=CC=C6)C(=O)NCC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC7=CC=C(C=C7)O)N

>  <Isomeric SMILES>
CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC2=CNC=N2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)NCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC7=CC=C(C=C7)O)N

>  <InChI Std. ID>
InChI=1S/C79H109N23O14/c1-4-5-23-55(96-77(116)66(45(2)3)102-67(106)53(80)35-48-28-30-51(103)31-29-48)70(109)101-63-40-65(105)87-32-15-14-25-56(69(108)93-57(26-16-33-88-78(82)83)71(110)97-59(68(107)91-43-64(81)104)36-46-18-8-6-9-19-46)94-74(113)61(38-49-41-90-54-24-13-12-22-52(49)54)99-72(111)58(27-17-34-89-79(84)85)95-73(112)60(37-47-20-10-7-11-21-47)98-75(114)62(100-76(63)115)39-50-42-86-44-92-50/h6-13,18-22,24,28-31,41-42,44-45,53,55-63,66,90,103H,4-5,14-17,23,25-27,32-40,43,80H2,1-3H3,(H2,81,104)(H,86,92)(H,87,105)(H,91,107)(H,93,108)(H,94,113)(H,95,112)(H,96,116)(H,97,110)(H,98,114)(H,99,111)(H,100,115)(H,101,109)(H,102,106)(H4,82,83,88)(H4,84,85,89)/t53-,55-,56+,57-,58-,59-,60+,61+,62-,63-,66-/m0/s1

>  <InChI Key>
AMLJFTMENZUCBN-ALYHAIMFSA-N

