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METHYL_(2S,3S)-2-[(4-METHOXYBENZYL)-THIO]-3-[[(BENZYLOXY)-CARBONYL]-AMINO]-5-[(TERT.-BUTOXYCARBONYL)-AMINO]_HEPTANOATE
SpectraBase Compound ID 46WBdCoyeRn
InChI InChI=1S/C29H40N2O7S/c1-29(2,3)38-27(33)30-18-10-9-13-24(31-28(34)37-19-21-11-7-6-8-12-21)25(26(32)36-5)39-20-22-14-16-23(35-4)17-15-22/h6-8,11-12,14-17,24-25H,9-10,13,18-20H2,1-5H3,(H,30,33)(H,31,34)/t24-,25-/m1/s1
InChIKey ICRKBPBHFRAVKJ-JWQCQUIFSA-N
Mol Weight 560.7 g/mol
Molecular Formula C29H40N2O7S
Exact Mass 560.255623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Igcw7QzhcL
Name METHYL_(2S,3S)-2-[(4-METHOXYBENZYL)-THIO]-3-[[(BENZYLOXY)-CARBONYL]-AMINO]-5-[(TERT.-BUTOXYCARBONYL)-AMINO]_HEPTANOATE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H40N2O7S
InChI InChI=1S/C29H40N2O7S/c1-29(2,3)38-27(33)30-18-10-9-13-24(31-28(34)37-19-21-11-7-6-8-12-21)25(26(32)36-5)39-20-22-14-16-23(35-4)17-15-22/h6-8,11-12,14-17,24-25H,9-10,13,18-20H2,1-5H3,(H,30,33)(H,31,34)/t24-,25-/m1/s1
InChIKey ICRKBPBHFRAVKJ-JWQCQUIFSA-N
Literature Reference Author L.BISCHOFF,C.DAVID,L.MARTIN,H.MEUDAL,B.P.ROQUES,M.C.FOURNIE- ZALUSKI
Literature Reference Citation J.ORG.CHEM.,62,4848(1997)
Literature Reference DOI 10.1021/jo9623853
Molecular Weight 560.706 g/mol
Solvent CDCl3
Source File Reference UWMZ4344