
 CHEMBL3144351

106112  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3144351

>  <PubChem CID>
9832198

>  <Formula>
C44H48N6O8

>  <Molecular Weight>
788.902000

>  <IUPAC Name>


>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

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

>  <InChI Std. ID>
InChI=1S/C44H48N6O8/c1-48(25-28-12-6-3-7-13-28)43(57)34(22-27-10-4-2-5-11-27)46-41(55)33(23-30-26-49(38(52)20-21-39(53)54)36-15-9-8-14-32(30)36)45-37(51)24-35-44(58)50-31-18-16-29(17-19-31)40(50)42(56)47-35/h2-15,26,29,31,33-35,40H,16-25H2,1H3,(H,45,51)(H,46,55)(H,47,56)(H,53,54)/t29?,31?,33-,34+,35+,40+/m1/s1

>  <InChI Key>
HLIHPODCOYBKPV-XZDKCQRISA-N

