
 CHEMBL3144340

100106  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3144340

>  <PubChem CID>
10259370

>  <Formula>
C42H46N6O6

>  <Molecular Weight>
730.866000

>  <IUPAC Name>


>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)NC(CC3=CC=CC=C3)C(=O)N(C)CC4=CC=CC=C4)NC(=O)CC5C(=O)N6C7CCC(C6C(=O)N5)CC7

>  <Isomeric SMILES>
CC(=O)N1C=C(C2=CC=CC=C21)C[C@H](C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N(C)CC4=CC=CC=C4)NC(=O)C[C@H]5C(=O)N6[C@@H](C7CCC6CC7)C(=O)N5

>  <InChI Std. ID>
InChI=1S/C42H46N6O6/c1-26(49)47-25-30(32-15-9-10-16-36(32)47)22-33(43-37(50)23-35-42(54)48-31-19-17-29(18-20-31)38(48)40(52)45-35)39(51)44-34(21-27-11-5-3-6-12-27)41(53)46(2)24-28-13-7-4-8-14-28/h3-16,25,29,31,33-35,38H,17-24H2,1-2H3,(H,43,50)(H,44,51)(H,45,52)/t29?,31?,33-,34+,35+,38+/m1/s1

>  <InChI Key>
NAPRVHFRCLJTHE-JWZGVHCRSA-N

