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(E)-ETHYL-4-((S)-4-AMINO-2-((S)-2-(TERT.-BUTOXYCARBONYLAMINO)-4-METHYLPENTANAMIDO)-4-OXOBUTANOYLOXY)-BUT-2-ENOATE
SpectraBase Compound ID Bp6LJ5IVVyg
InChI InChI=1S/C21H35N3O8/c1-7-30-17(26)9-8-10-31-19(28)15(12-16(22)25)23-18(27)14(11-13(2)3)24-20(29)32-21(4,5)6/h8-9,13-15H,7,10-12H2,1-6H3,(H2,22,25)(H,23,27)(H,24,29)/b9-8+/t14-,15-/m0/s1
InChIKey MMHPZBXBEQYBJC-JJGIJDNGSA-N
Mol Weight 457.5 g/mol
Molecular Formula C21H35N3O8
Exact Mass 457.242415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IEzeLqjVWgw
Name (E)-ETHYL-4-((S)-4-AMINO-2-((S)-2-(TERT.-BUTOXYCARBONYLAMINO)-4-METHYLPENTANAMIDO)-4-OXOBUTANOYLOXY)-BUT-2-ENOATE
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H35N3O8
InChI InChI=1S/C21H35N3O8/c1-7-30-17(26)9-8-10-31-19(28)15(12-16(22)25)23-18(27)14(11-13(2)3)24-20(29)32-21(4,5)6/h8-9,13-15H,7,10-12H2,1-6H3,(H2,22,25)(H,23,27)(H,24,29)/b9-8+/t14-,15-/m0/s1
InChIKey MMHPZBXBEQYBJC-JJGIJDNGSA-N
Literature Reference Author A.BREUNING,B.DEGEL,F.SCHULZ,C.BUECHOLD,M.STEMPKA,U.MACHON,S. HEPPNER,C.GELHAUS,M.
Literature Reference Citation J.MED.CHEM.,53,1951(2010)
Literature Reference DOI 10.1021/jm900946n
Molecular Weight 457.524 g/mol
Solvent CDCl3
Source File Reference UWMZ46505