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#4;(R)-[[2-(CARBOXYMETHYL-[2-DICARBOXYMETHYLAMINO-3-[(4,4-DIPHENYLCYCLOHEXYLOXY)-HYDROXYPHOSPHORYLOXY]-PROPYL]-AMINO)-ETHYL]-2-DICARBOXYMETHYLAMINOETHYL)-AMINO
SpectraBase Compound ID D4G0SqfEfBq
InChI InChI=1S/C37H51N4O16P/c42-31(43)20-38(16-18-40(22-33(46)47)23-34(48)49)15-17-39(21-32(44)45)19-29(41(24-35(50)51)25-36(52)53)26-56-58(54,55)57-30-11-13-37(14-12-30,27-7-3-1-4-8-27)28-9-5-2-6-10-28/h1-10,29-30H,11-26H2,(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)/t29-/m1/s1
InChIKey ZYOQCWNYLGCAFH-GDLZYMKVSA-N
Mol Weight 838.8 g/mol
Molecular Formula C37H51N4O16P
Exact Mass 838.303769 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8NGKG8xbPLM
Name #4;(R)-[[2-(CARBOXYMETHYL-[2-DICARBOXYMETHYLAMINO-3-[(4,4-DIPHENYLCYCLOHEXYLOXY)-HYDROXYPHOSPHORYLOXY]-PROPYL]-AMINO)-ETHYL]-2-DICARBOXYMETHYLAMINOETHYL)-AMINO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H50N4O16P
InChI InChI=1S/C37H51N4O16P/c42-31(43)20-38(16-18-40(22-33(46)47)23-34(48)49)15-17-39(21-32(44)45)19-29(41(24-35(50)51)25-36(52)53)26-56-58(54,55)57-30-11-13-37(14-12-30,27-7-3-1-4-8-27)28-9-5-2-6-10-28/h1-10,29-30H,11-26H2,(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)/t29-/m1/s1
InChIKey ZYOQCWNYLGCAFH-GDLZYMKVSA-N
Literature Reference Author P.CARAVAN,N.J.CLOUTIER,M.T.GREENFIELD,S.A.MCDERMID,S.U.DUNHA M,J.W.M.BULTE,J.C.AM
Literature Reference Citation J.AM.CHEM.SOC.,124,3152(2002)
Literature Reference DOI 10.1021/ja017168k
Solvent D2O:H3PO4
Source File Reference UWLU47869