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N-(9-FLUORENYLMETHYLOXYCARBONYL)-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLINE-ALLYLESTER
SpectraBase Compound ID 5QdPMpXJ5QA
InChI InChI=1S/C36H46N4O7S/c1-5-18-46-35(44)31-15-10-17-40(31)34(43)30(20-23(2)3)38-32(41)21-37-33(42)29(16-19-48-4)39-36(45)47-22-28-26-13-8-6-11-24(26)25-12-7-9-14-27(25)28/h5-9,11-14,23,28-31H,1,10,15-22H2,2-4H3,(H,37,42)(H,38,41)(H,39,45)/t29-,30+,31+/m0/s1
InChIKey RNMNOPBGLNXWGJ-OJDZSJEKSA-N
Mol Weight 678.8 g/mol
Molecular Formula C36H46N4O7S
Exact Mass 678.308721 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ZhKB3UoSmK
Name N-(9-FLUORENYLMETHYLOXYCARBONYL)-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLINE-ALLYLESTER
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H46N4O7S
InChI InChI=1S/C36H46N4O7S/c1-5-18-46-35(44)31-15-10-17-40(31)34(43)30(20-23(2)3)38-32(41)21-37-33(42)29(16-19-48-4)39-36(45)47-22-28-26-13-8-6-11-24(26)25-12-7-9-14-27(25)28/h5-9,11-14,23,28-31H,1,10,15-22H2,2-4H3,(H,37,42)(H,38,41)(H,39,45)/t29-,30+,31+/m0/s1
InChIKey RNMNOPBGLNXWGJ-OJDZSJEKSA-N
Literature Reference Author K.KUHN,D.J.OWEN,B.BADER,A.WITTINGHOFER,J.KUHLMANN,H.WALDMANN
Literature Reference Citation J.AM.CHEM.SOC.,123,1023(2001)
Literature Reference DOI 10.1021/ja002723o
Molecular Weight 678.844 g/mol
Solvent CDCl3
Source File Reference UWSI23419