
 CHEMBL2324949

288292  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2324949

>  <PubChem CID>
71720536

>  <Formula>
C93H150N24O21

>  <Molecular Weight>
1940.370000

>  <IUPAC Name>


>  <XlogP>
-1.6

>  <Hydrogen Bond Donors>
26

>  <Hydrogen Bond Acceptors>
26

>  <Canonical SMILES>
CC(C)CC1C(=O)NC(CCCC=CCCCC(C(=O)NCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)(C)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)CNC)(C)C(=O)NCC(=O)N5CCCC5C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)N

>  <Isomeric SMILES>
C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@]1(CCC/C=C/CCC[C@@](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC1=O)CC2=CC=C(C=C2)O)CC(C)C)(C)C(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)CNC)O

>  <InChI Std. ID>
InChI=1S/C93H150N24O21/c1-54(2)44-66(112-89(136)77(56(5)119)114-85(132)69(105-74(122)50-100-8)47-58-49-101-61-27-14-13-26-60(58)61)82(129)111-70(48-73(98)121)84(131)113-71(53-118)87(134)116-92(6)37-19-11-9-10-12-20-38-93(7,115-86(133)67(45-55(3)4)110-83(130)68(104-75(123)51-102-90(92)137)46-57-33-35-59(120)36-34-57)91(138)103-52-76(124)117-43-25-32-72(117)88(135)109-65(31-18-24-42-97)81(128)108-64(30-17-23-41-96)80(127)107-63(29-16-22-40-95)79(126)106-62(78(99)125)28-15-21-39-94/h9-10,13-14,26-27,33-36,49,54-56,62-72,77,100-101,118-120H,11-12,15-25,28-32,37-48,50-53,94-97H2,1-8H3,(H2,98,121)(H2,99,125)(H,102,137)(H,103,138)(H,104,123)(H,105,122)(H,106,126)(H,107,127)(H,108,128)(H,109,135)(H,110,130)(H,111,129)(H,112,136)(H,113,131)(H,114,132)(H,115,133)(H,116,134)/b10-9+/t56-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,77+,92+,93+/m1/s1

>  <InChI Key>
KUXHDYOSWPUVOX-LUGTZLNTSA-N

