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(S)-BENZYL-2-{(S)-2-[(S)-2-((Z)-3-CARBOXY-ACRYLOYLAMINO)-3-PEHNYLPROPIONYLAMINO]-PROPIONYLAMINO}-4-METHYLPENTANOATE
SpectraBase Compound ID JSluiaJVlu7
InChI InChI=1S/C29H35N3O7/c1-19(2)16-24(29(38)39-18-22-12-8-5-9-13-22)32-27(36)20(3)30-28(37)23(17-21-10-6-4-7-11-21)31-25(33)14-15-26(34)35/h4-15,19-20,23-24H,16-18H2,1-3H3,(H,30,37)(H,31,33)(H,32,36)(H,34,35)/b15-14-/t20-,23-,24-/m0/s1
InChIKey RKWRFBSODXNYPR-SBLIXSNCSA-N
Mol Weight 537.6 g/mol
Molecular Formula C29H35N3O7
Exact Mass 537.2475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F2jXDXwDs2s
Name (S)-BENZYL-2-{(S)-2-[(S)-2-((Z)-3-CARBOXY-ACRYLOYLAMINO)-3-PEHNYLPROPIONYLAMINO]-PROPIONYLAMINO}-4-METHYLPENTANOATE
Compound Number 41
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H35N3O7
InChI InChI=1S/C29H35N3O7/c1-19(2)16-24(29(38)39-18-22-12-8-5-9-13-22)32-27(36)20(3)30-28(37)23(17-21-10-6-4-7-11-21)31-25(33)14-15-26(34)35/h4-15,19-20,23-24H,16-18H2,1-3H3,(H,30,37)(H,31,33)(H,32,36)(H,34,35)/b15-14-/t20-,23-,24-/m0/s1
InChIKey RKWRFBSODXNYPR-SBLIXSNCSA-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 537.613 g/mol
Solvent CDCl3
Source File Reference UWMZ46520