
 US8551978, I-14

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M  END

>  <Chemical Name>
US8551978, I-14

>  <PubChem CID>
56953428

>  <Formula>
C45H52N6O7

>  <Molecular Weight>
788.946000

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

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CN(CCCCC(=O)NC1=CC=C(C=C1)CNCC(C2=C3C=CC(=O)NC3=C(C=C2)O)O)C(=O)CCN4CCC(CC4)OC(=O)NC5=CC=CC=C5C6=CC=CC=C6

>  <Isomeric SMILES>
CN(CCCCC(=O)NC1=CC=C(C=C1)CNC[C@@H](C2=C3C=CC(=O)NC3=C(C=C2)O)O)C(=O)CCN4CCC(CC4)OC(=O)NC5=CC=CC=C5C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C45H52N6O7/c1-50(43(56)24-28-51-26-22-34(23-27-51)58-45(57)48-38-12-6-5-11-35(38)32-9-3-2-4-10-32)25-8-7-13-41(54)47-33-16-14-31(15-17-33)29-46-30-40(53)36-18-20-39(52)44-37(36)19-21-42(55)49-44/h2-6,9-12,14-21,34,40,46,52-53H,7-8,13,22-30H2,1H3,(H,47,54)(H,48,57)(H,49,55)/t40-/m0/s1

>  <InChI Key>
AKYUMGLGSXQSCR-FAIXQHPJSA-N

