
 CHEMBL3799094

214223  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3799094

>  <PubChem CID>
127046977

>  <Formula>
C74H101N23O16

>  <Molecular Weight>
1568.767000

>  <IUPAC Name>


>  <XlogP>
-3.2

>  <Hydrogen Bond Donors>
17

>  <Hydrogen Bond Acceptors>
19

>  <Canonical SMILES>
C1CC(NC1)C(=O)NCC(=O)N2CCCC2C(=O)NCC(=O)N3CCCC3C(=O)NCC(=O)N4CCCC4C(=O)NCC(=O)N5CCCC5C(=O)NCC(=O)N6CCCC6C(=O)NCC(=O)NC(CC7=CN=CN7)C(=O)NC(CC8=CC=CC=C8)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC9=CNC1=CC=CC=C19)C(=O)N

>  <Isomeric SMILES>
C1C[C@H](NC1)C(=O)NCC(=O)N2CCC[C@H]2C(=O)NCC(=O)N3CCC[C@H]3C(=O)NCC(=O)N4CCC[C@H]4C(=O)NCC(=O)N5CCC[C@H]5C(=O)NCC(=O)N6CCC[C@H]6C(=O)NCC(=O)N[C@@H](CC7=CN=CN7)C(=O)N[C@H](CC8=CC=CC=C8)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC9=CNC1=CC=CC=C19)C(=O)N

>  <InChI Std. ID>
InChI=1S/C74H101N23O16/c75-64(104)50(32-44-34-81-47-16-5-4-15-46(44)47)91-66(106)49(18-7-25-80-74(76)77)90-67(107)51(31-43-13-2-1-3-14-43)92-68(108)52(33-45-35-78-42-88-45)89-58(98)36-82-69(109)53-19-8-26-93(53)60(100)38-84-71(111)55-21-10-28-95(55)62(102)40-86-73(113)57-23-12-30-97(57)63(103)41-87-72(112)56-22-11-29-96(56)61(101)39-85-70(110)54-20-9-27-94(54)59(99)37-83-65(105)48-17-6-24-79-48/h1-5,13-16,34-35,42,48-57,79,81H,6-12,17-33,36-41H2,(H2,75,104)(H,78,88)(H,82,109)(H,83,105)(H,84,111)(H,85,110)(H,86,113)(H,87,112)(H,89,98)(H,90,107)(H,91,106)(H,92,108)(H4,76,77,80)/t48-,49-,50-,51+,52-,53-,54-,55-,56-,57-/m0/s1

>  <InChI Key>
BBSFNUWKFPLIJR-JDRZNSOUSA-N

