
 CHEMBL2096721

188194  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2096721

>  <PubChem CID>
91900700

>  <Formula>
C70H85N17O16

>  <Molecular Weight>
1420.553000

>  <IUPAC Name>


>  <XlogP>
-2.2

>  <Hydrogen Bond Donors>
19

>  <Hydrogen Bond Acceptors>
18

>  <Canonical SMILES>
CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(N(C(=O)CC(C(=O)N1)NC(=O)C(CC2=CC=C(C=C2)O)N)C(CC3=CC=C(C=C3)O)C(=O)N)(C)C(=O)O)CC4=CC=CC=C4)C)CC(=O)N)CC5=CNC6=CC=CC=C65)CCCNC(=N)N)CC7=CC=CC=C7

>  <Isomeric SMILES>
C[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(N(C(=O)C[C@@H](C(=O)N1)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)[C@@H](CC3=CC=C(C=C3)O)C(=O)N)(C)C(=O)O)CC4=CC=CC=C4)C)CC(=O)N)CC5=CNC6=CC=CC=C65)CCCNC(=N)N)CC7=CC=CC=C7

>  <InChI Std. ID>
InChI=1S/C70H85N17O16/c1-37-59(93)81-50(30-39-13-6-4-7-14-39)65(99)80-49(19-12-28-76-69(74)75)62(96)84-52(33-43-36-77-48-18-11-10-17-46(43)48)66(100)85-53(34-56(72)90)63(97)78-38(2)60(94)82-51(31-40-15-8-5-9-16-40)67(101)86-70(3,68(102)103)87(55(58(73)92)32-42-22-26-45(89)27-23-42)57(91)35-54(64(98)79-37)83-61(95)47(71)29-41-20-24-44(88)25-21-41/h4-11,13-18,20-27,36-38,47,49-55,77,88-89H,12,19,28-35,71H2,1-3H3,(H2,72,90)(H2,73,92)(H,78,97)(H,79,98)(H,80,99)(H,81,93)(H,82,94)(H,83,95)(H,84,96)(H,85,100)(H,86,101)(H,102,103)(H4,74,75,76)/t37-,38-,47-,49-,50+,51-,52-,53-,54-,55-,70?/m0/s1

>  <InChI Key>
AHYBINIDLPZASF-QHCAJBRISA-N

