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CYCLO-[BETA-ALA-(R)-GLU-ALPHA-OME-GAMMA-SAR-(R)-ASP-ALPHA-OME-BETA-(S)-PHE];ROTAMER-#2
SpectraBase Compound ID 6v0kKuWlqUZ
InChI InChI=1S/C26H35N5O9/c1-31-15-22(34)30-19(26(38)40-3)14-21(33)29-18(13-16-7-5-4-6-8-16)24(36)27-12-11-20(32)28-17(25(37)39-2)9-10-23(31)35/h4-8,17-19H,9-15H2,1-3H3,(H,27,36)(H,28,32)(H,29,33)(H,30,34)/t17-,18-,19-/m0/s1
InChIKey CUSNVYQLWQZXOZ-FHWLQOOXSA-N
Mol Weight 561.6 g/mol
Molecular Formula C26H35N5O9
Exact Mass 561.243478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bx8RdCfMnLL
Name CYCLO-[BETA-ALA-(R)-GLU-ALPHA-OME-GAMMA-SAR-(R)-ASP-ALPHA-OME-BETA-(S)-PHE];ROTAMER-#2
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H35N5O9
InChI InChI=1S/C26H35N5O9/c1-31-15-22(34)30-19(26(38)40-3)14-21(33)29-18(13-16-7-5-4-6-8-16)24(36)27-12-11-20(32)28-17(25(37)39-2)9-10-23(31)35/h4-8,17-19H,9-15H2,1-3H3,(H,27,36)(H,28,32)(H,29,33)(H,30,34)/t17-,18-,19-/m0/s1
InChIKey CUSNVYQLWQZXOZ-FHWLQOOXSA-N
Literature Reference Author A.P.MEHROTRA,K.L.WEBSTER,D.GANI
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2495(1997)
Literature Reference DOI 10.1039/a702407j
Molecular Weight 561.592 g/mol
Solvent DMSO-D6
Source File Reference UWCP9240