
 SCHEMBL738913

117123  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL738913

>  <PubChem CID>
59548112

>  <Formula>
C50H54N6O7

>  <Molecular Weight>
851.017000

>  <IUPAC Name>
[1-[3-[3-[2-[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2,5-dimethylanilino]-2-oxoethyl]-N-methylanilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=CC(=C(C=C1CNCC(C2=C3C=CC(=O)NC3=C(C=C2)O)O)C)NC(=O)CC4=CC(=CC=C4)N(C)C(=O)CCN5CCC(CC5)OC(=O)NC6=CC=CC=C6C7=CC=CC=C7

>  <Isomeric SMILES>
CC1=CC(=C(C=C1CNC[C@@H](C2=C3C=CC(=O)NC3=C(C=C2)O)O)C)NC(=O)CC4=CC(=CC=C4)N(C)C(=O)CCN5CCC(CC5)OC(=O)NC6=CC=CC=C6C7=CC=CC=C7

>  <InChI Std. ID>
InChI=1S/C50H54N6O7/c1-32-27-43(33(2)26-36(32)30-51-31-45(58)40-16-18-44(57)49-41(40)17-19-46(59)54-49)52-47(60)29-34-10-9-13-37(28-34)55(3)48(61)22-25-56-23-20-38(21-24-56)63-50(62)53-42-15-8-7-14-39(42)35-11-5-4-6-12-35/h4-19,26-28,38,45,51,57-58H,20-25,29-31H2,1-3H3,(H,52,60)(H,53,62)(H,54,59)/t45-/m0/s1

>  <InChI Key>
AQXSFUIPLNARQT-GWHBCOKCSA-N

