
 CHEMBL270332

230234  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL270332

>  <PubChem CID>
24824441

>  <Formula>
C76H124N16O14

>  <Molecular Weight>
1485.926000

>  <IUPAC Name>


>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
16

>  <Hydrogen Bond Acceptors>
18

>  <Canonical SMILES>
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)N1)CC4=CC=C(C=C4)O)CCCCN)CCCCN)CC(C)C)C(C)CC)CC5=CC=C(C=C5)O)CCCCN)CCCCN)CC(C)C

>  <Isomeric SMILES>
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=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)N3CCC[C@H]3C(=O)N[C@H](C(=O)N1)CC4=CC=C(C=C4)O)CCCCN)CCCCN)CC(C)C)[C@@H](C)CC)CC5=CC=C(C=C5)O)CCCCN)CCCCN)CC(C)C

>  <InChI Std. ID>
InChI=1S/C76H124N16O14/c1-9-47(7)63-73(103)87-57(41-45(3)4)67(97)81-53(21-11-15-35-77)65(95)83-56(24-14-18-38-80)76(106)92-40-20-26-62(92)72(102)86-60(44-50-29-33-52(94)34-30-50)70(100)90-64(48(8)10-2)74(104)88-58(42-46(5)6)68(98)82-54(22-12-16-36-78)66(96)84-55(23-13-17-37-79)75(105)91-39-19-25-61(91)71(101)85-59(69(99)89-63)43-49-27-31-51(93)32-28-49/h27-34,45-48,53-64,93-94H,9-26,35-44,77-80H2,1-8H3,(H,81,97)(H,82,98)(H,83,95)(H,84,96)(H,85,101)(H,86,102)(H,87,103)(H,88,104)(H,89,99)(H,90,100)/t47-,48-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1

>  <InChI Key>
LUVWPAMEUQGOAT-CNPMHALYSA-N

