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#13;((S)-2-[(S)-2-[(S)-2-((S)-2-TERT.-BUTOXYCARBONYLAMINO-3-PHENYL-PROPIONYLAMINO)-PROPIONYLAMINO]-3-METHYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC-ACID-METHYLESTER
SpectraBase Compound ID ERL3rrPeRrq
InChI InChI=1S/C29H46N4O7/c1-17(2)15-22(27(37)39-9)31-26(36)23(18(3)4)33-24(34)19(5)30-25(35)21(16-20-13-11-10-12-14-20)32-28(38)40-29(6,7)8/h10-14,17-19,21-23H,15-16H2,1-9H3,(H,30,35)(H,31,36)(H,32,38)(H,33,34)/t19-,21+,22-,23-/m1/s1
InChIKey DFQSJTVEWKPIFE-CWKRKGSWSA-N
Mol Weight 562.7 g/mol
Molecular Formula C29H46N4O7
Exact Mass 562.33665 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LIscyjjQ21B
Name #13;((S)-2-[(S)-2-[(S)-2-((S)-2-TERT.-BUTOXYCARBONYLAMINO-3-PHENYL-PROPIONYLAMINO)-PROPIONYLAMINO]-3-METHYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC-ACID-METHYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H46N4O7
InChI InChI=1S/C29H46N4O7/c1-17(2)15-22(27(37)39-9)31-26(36)23(18(3)4)33-24(34)19(5)30-25(35)21(16-20-13-11-10-12-14-20)32-28(38)40-29(6,7)8/h10-14,17-19,21-23H,15-16H2,1-9H3,(H,30,35)(H,31,36)(H,32,38)(H,33,34)/t19-,21+,22-,23-/m1/s1
InChIKey DFQSJTVEWKPIFE-CWKRKGSWSA-N
Literature Reference Author C.BONAUER,M.ZABEL,B.KOENIG
Literature Reference Citation ORG.LETTERS,6,1349(2004)
Literature Reference DOI 10.1021/ol049855x
Molecular Weight 562.707 g/mol
Sample ID 50908
Solvent DMSO