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BETA-BENZYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-SARCOSYL-[ALPHA-METHYL-(2R)-ASPARTATE]-TRIESTER-HYDROCHLORIDE;ROTAMER-#1
SpectraBase Compound ID 5l6ZsXObe3x
InChI InChI=1S/C21H29N3O8.ClH/c1-24(18(26)10-9-15(22)20(28)30-2)12-17(25)23-16(21(29)31-3)11-19(27)32-13-14-7-5-4-6-8-14;/h4-8,15-16H,9-13,22H2,1-3H3,(H,23,25);1H/t15-,16+;/m1./s1
InChIKey UDIXYGVUVYWBTQ-RCPFAERMSA-N
Mol Weight 487.94 g/mol
Molecular Formula C21H30ClN3O8
Exact Mass 487.172143 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CqSvQugeVSI
Name BETA-BENZYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-SARCOSYL-[ALPHA-METHYL-(2R)-ASPARTATE]-TRIESTER-HYDROCHLORIDE;ROTAMER-#1
Compound Number 38
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30ClN3O8
InChI InChI=1S/C21H29N3O8.ClH/c1-24(18(26)10-9-15(22)20(28)30-2)12-17(25)23-16(21(29)31-3)11-19(27)32-13-14-7-5-4-6-8-14;/h4-8,15-16H,9-13,22H2,1-3H3,(H,23,25);1H/t15-,16+;/m1./s1
InChIKey UDIXYGVUVYWBTQ-RCPFAERMSA-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 487.938 g/mol
Solvent CD3OD
Source File Reference UWCP9230