
 SCHEMBL741232

124130  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL741232

>  <PubChem CID>
59548060

>  <Formula>
C52H58N6O8

>  <Molecular Weight>
895.070000

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

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC(CC1=C(C=CC(=C1)CNC(=O)CC2=CC=C(C=C2)N(C)C(=O)CCN3CCC(CC3)OC(=O)NC4=CC=CC=C4C5=CC=CC=C5)OC)NCC(C6=C7C=CC(=O)NC7=C(C=C6)O)O

>  <Isomeric SMILES>
CC(CC1=C(C=CC(=C1)CNC(=O)CC2=CC=C(C=C2)N(C)C(=O)CCN3CCC(CC3)OC(=O)NC4=CC=CC=C4C5=CC=CC=C5)OC)NC[C@@H](C6=C7C=CC(=O)NC7=C(C=C6)O)O

>  <InChI Std. ID>
InChI=1S/C52H58N6O8/c1-34(53-33-46(60)42-18-20-45(59)51-43(42)19-22-48(61)56-51)29-38-30-36(15-21-47(38)65-3)32-54-49(62)31-35-13-16-39(17-14-35)57(2)50(63)25-28-58-26-23-40(24-27-58)66-52(64)55-44-12-8-7-11-41(44)37-9-5-4-6-10-37/h4-22,30,34,40,46,53,59-60H,23-29,31-33H2,1-3H3,(H,54,62)(H,55,64)(H,56,61)/t34?,46-/m0/s1

>  <InChI Key>
ASGGQRAVBINOEP-LYMXURKRSA-N

