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BOC-ISER-PRO-PHE-PNA
SpectraBase Compound ID CHEpOegsskQ
InChI InChI=1S/2C28H35N5O8/c2*1-28(2,3)41-27(38)29-17-23(34)26(37)32-15-7-10-22(32)25(36)31-21(16-18-8-5-4-6-9-18)24(35)30-19-11-13-20(14-12-19)33(39)40/h2*4-6,8-9,11-14,21-23,34H,7,10,15-17H2,1-3H3,(H,29,38)(H,30,35)(H,31,36)/t2*21-,22-,23?/m00/s1
InChIKey NHXAFBNMXSIVOB-DAAHUMIZSA-N
Mol Weight 1139.2 g/mol
Molecular Formula C56H70N10O16
Exact Mass 1138.497126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ein48O1Yc2v
Name BOC-ISER-PRO-PHE-PNA
Compound Number 14B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H70N10O16
InChI InChI=1S/2C28H35N5O8/c2*1-28(2,3)41-27(38)29-17-23(34)26(37)32-15-7-10-22(32)25(36)31-21(16-18-8-5-4-6-9-18)24(35)30-19-11-13-20(14-12-19)33(39)40/h2*4-6,8-9,11-14,21-23,34H,7,10,15-17H2,1-3H3,(H,29,38)(H,30,35)(H,31,36)/t2*21-,22-,23?/m00/s1
InChIKey NHXAFBNMXSIVOB-DAAHUMIZSA-N
Literature Reference Author L.DEMANGE,M.MOUTIEZ,C.DUGAVE
Literature Reference Citation J.MED.CHEM.,45,3928(2002)
Literature Reference DOI 10.1021/jm020865i
Molecular Weight 1139.229 g/mol
Sample ID 64819
Solvent CDCl3