
 CHEMBL3144343

 97103  0  0  0  0  0  0  0  0999 V2000
    5.3059    0.6679    3.7216 C   0  0  0  0  0
    5.3623    2.0891    4.0281 N   0  0  0  0  0
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   10.0917    7.7781   -8.2341 H   0  0  0  0  0
    9.9511    8.2301   -6.5360 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3144343

>  <PubChem CID>
10349900

>  <Formula>
C41H44N6O6

>  <Molecular Weight>
716.839000

>  <IUPAC Name>


>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(CC1=CC=CC=C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CN(C4=CC=CC=C43)C=O)NC(=O)CC5C(=O)N6C7CCC(C6C(=O)N5)CC7

>  <Isomeric SMILES>
CN(CC1=CC=CC=C1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC3=CN(C4=CC=CC=C43)C=O)NC(=O)C[C@H]5C(=O)N6[C@@H](C7CCC6CC7)C(=O)N5

>  <InChI Std. ID>
InChI=1S/C41H44N6O6/c1-45(23-27-12-6-3-7-13-27)40(52)33(20-26-10-4-2-5-11-26)43-38(50)32(21-29-24-46(25-48)35-15-9-8-14-31(29)35)42-36(49)22-34-41(53)47-30-18-16-28(17-19-30)37(47)39(51)44-34/h2-15,24-25,28,30,32-34,37H,16-23H2,1H3,(H,42,49)(H,43,50)(H,44,51)/t28?,30?,32-,33+,34+,37+/m1/s1

>  <InChI Key>
CSVWVGRJWUUHQN-LRAUYJCASA-N

