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#6I;[2-(2,6-DICHLORO-PHENYLAMINO)-PHENYL]-ACETIC-ACID-3-[2-[3-[3-[2-(2,6-DICHLORO-PHENYLAMINO)-PHENYL]-ACETOXY]-PROPYL]-UREIDO]-3-PHENYL-PROPYONYLAMINO]-PROPYL
SpectraBase Compound ID CQbewkBHsMO
InChI InChI=1S/C44H43Cl4N5O6/c45-32-16-8-17-33(46)41(32)51-36-20-6-4-14-30(36)27-39(54)58-24-10-22-49-43(56)38(26-29-12-2-1-3-13-29)53-44(57)50-23-11-25-59-40(55)28-31-15-5-7-21-37(31)52-42-34(47)18-9-19-35(42)48/h1-9,12-21,38,51-52H,10-11,22-28H2,(H,49,56)(H2,50,53,57)
InChIKey IZCIIUXKFGMQBI-UHFFFAOYSA-N
Mol Weight 879.7 g/mol
Molecular Formula C44H43Cl4N5O6
Exact Mass 877.196745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3hWsYjUHBi1
Name #6I;[2-(2,6-DICHLORO-PHENYLAMINO)-PHENYL]-ACETIC-ACID-3-[2-[3-[3-[2-(2,6-DICHLORO-PHENYLAMINO)-PHENYL]-ACETOXY]-PROPYL]-UREIDO]-3-PHENYL-PROPYONYLAMINO]-PROPYL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H43Cl4N5O6
InChI InChI=1S/C44H43Cl4N5O6/c45-32-16-8-17-33(46)41(32)51-36-20-6-4-14-30(36)27-39(54)58-24-10-22-49-43(56)38(26-29-12-2-1-3-13-29)53-44(57)50-23-11-25-59-40(55)28-31-15-5-7-21-37(31)52-42-34(47)18-9-19-35(42)48/h1-9,12-21,38,51-52H,10-11,22-28H2,(H,49,56)(H2,50,53,57)
InChIKey IZCIIUXKFGMQBI-UHFFFAOYSA-N
Literature Reference Author I.PERKOVIC,Z.R.DZOLIC,B.ZORC
Literature Reference Citation ACTA.PHARM.,63,409(2013)
Molecular Weight 879.667 g/mol
Solvent DMSO-D6
Source File Reference UWLU78936