
 CHEMBL414900

192199  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL414900

>  <PubChem CID>
91932910

>  <Formula>
C71H84N20O17

>  <Molecular Weight>
1489.576000

>  <IUPAC Name>


>  <XlogP>
-2.9

>  <Hydrogen Bond Donors>
22

>  <Hydrogen Bond Acceptors>
22

>  <Canonical SMILES>
CC1C(=O)NC(C(=O)NC(NC(=O)CC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CCCNC(=N)N)CC4=CN=CN4)NNC5CC6=C(C=C(C=C6)O)NC5=O)C(=O)NNC(CC7=CC=C(C=C7)O)C(=O)C(=O)O)CC8=CC=CC=C8

>  <Isomeric SMILES>
C[C@H]1C(=O)N[C@@H](C(=O)NC(NC(=O)C[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)N1)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CCCNC(=N)N)CC4=CN=CN4)NN[C@H]5CC6=C(C=C(C=C6)O)NC5=O)C(=O)NN[C@@H](CC7=CC=C(C=C7)O)C(=O)C(=O)O)CC8=CC=CC=C8

>  <InChI Std. ID>
InChI=1S/C71H84N20O17/c1-37-60(97)81-51(29-40-16-9-4-10-17-40)66(103)87-59(69(106)91-88-48(58(96)70(107)108)26-41-19-22-44(92)23-20-41)86-57(95)34-55(90-89-54-30-42-21-24-45(93)32-47(42)80-67(54)104)68(105)84-52(31-43-35-75-36-77-43)65(102)79-46(18-11-25-76-71(73)74)61(98)82-49(27-38-12-5-2-6-13-38)63(100)83-50(28-39-14-7-3-8-15-39)64(101)85-53(33-56(72)94)62(99)78-37/h2-10,12-17,19-24,32,35-37,46,48-55,59,88-90,92-93H,11,18,25-31,33-34H2,1H3,(H2,72,94)(H,75,77)(H,78,99)(H,79,102)(H,80,104)(H,81,97)(H,82,98)(H,83,100)(H,84,105)(H,85,101)(H,86,95)(H,87,103)(H,91,106)(H,107,108)(H4,73,74,76)/t37-,46-,48-,49+,50-,51+,52+,53+,54-,55+,59?/m0/s1

>  <InChI Key>
BXRPCYASTSTGKR-FHJBMNMKSA-N

