
 SCHEMBL738884

113118  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL738884

>  <PubChem CID>
59548122

>  <Formula>
C46H54N6O7

>  <Molecular Weight>
802.973000

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

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(C=CC(=C1)CNCC(C2=C3C=CC(=O)NC3=C(C=C2)O)O)NC(=O)CCCCN(C)C(=O)CCN4CCC(CC4)OC(=O)NC5=CC=CC=C5C6=CC=CC=C6

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)CNC[C@@H](C2=C3C=CC(=O)NC3=C(C=C2)O)O)NC(=O)CCCCN(C)C(=O)CCN4CCC(CC4)OC(=O)NC5=CC=CC=C5C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C46H54N6O7/c1-31-28-32(29-47-30-41(54)36-16-19-40(53)45-37(36)17-20-43(56)50-45)15-18-38(31)48-42(55)14-8-9-24-51(2)44(57)23-27-52-25-21-34(22-26-52)59-46(58)49-39-13-7-6-12-35(39)33-10-4-3-5-11-33/h3-7,10-13,15-20,28,34,41,47,53-54H,8-9,14,21-27,29-30H2,1-2H3,(H,48,55)(H,49,58)(H,50,56)/t41-/m0/s1

>  <InChI Key>
AFEIULHOTSQERY-RWYGWLOXSA-N

