
 CHEMBL3144347

101107  0  0  0  0  0  0  0  0999 V2000
    6.5812    2.5249    5.0022 C   0  0  0  0  0
    7.7627    1.7273    4.7086 N   0  0  0  0  0
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   17.4363    4.3710    0.6788 H   0  0  0  0  0
   16.0524    3.3068    0.4352 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3144347

>  <PubChem CID>
10032981

>  <Formula>
C42H46N6O7

>  <Molecular Weight>
746.865000

>  <IUPAC Name>


>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <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)OC)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)OC)NC(=O)C[C@H]5C(=O)N6[C@@H](C7CCC6CC7)C(=O)N5

>  <InChI Std. ID>
InChI=1S/C42H46N6O7/c1-46(24-27-13-7-4-8-14-27)40(52)33(21-26-11-5-3-6-12-26)44-38(50)32(22-29-25-47(42(54)55-2)35-16-10-9-15-31(29)35)43-36(49)23-34-41(53)48-30-19-17-28(18-20-30)37(48)39(51)45-34/h3-16,25,28,30,32-34,37H,17-24H2,1-2H3,(H,43,49)(H,44,50)(H,45,51)/t28?,30?,32-,33+,34+,37+/m1/s1

>  <InChI Key>
ALNKYQMLZWZRGR-LRAUYJCASA-N

