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(2S,5R,6R)-7-Methyl 5,6-bis(benzoyloxy)-2-methyl-4-oxo-3-azaheptanedicarboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2S,5R,6R)-7-Methyl 5,6-bis(benzoyloxy)-2-methyl-4-oxo-3-azaheptanedicarboxylate
SpectraBase Compound ID 9LUkgPR3jg0
InChI InChI=1S/C22H21NO9/c1-13(19(25)26)23-18(24)16(31-20(27)14-9-5-3-6-10-14)17(22(29)30-2)32-21(28)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3,(H,23,24)(H,25,26)/t13-,16+,17+/m0/s1
InChIKey QJNXFOVAGKKOHH-IAOVAPTHSA-N
Mol Weight 443.41 g/mol
Molecular Formula C22H21NO9
Exact Mass 443.121631 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FYjensjoFjb
Name (2S,5R,6R)-7-Methyl 5,6-bis(benzoyloxy)-2-methyl-4-oxo-3-azaheptanedicarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.121631251 u
Formula C22H21NO9
InChI InChI=1S/C22H21NO9/c1-13(19(25)26)23-18(24)16(31-20(27)14-9-5-3-6-10-14)17(22(29)30-2)32-21(28)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3,(H,23,24)(H,25,26)/t13-,16+,17+/m0/s1
InChIKey QJNXFOVAGKKOHH-IAOVAPTHSA-N
Molecular Weight 443.408 g/mol
SMILES [C@]([C@@](OC(=O)C=1C=CC=CC1)(C(=O)OC)[H])(C(N[C@](C(=O)O)(C)[H])=O)(OC(=O)C1=CC=CC=C1)[H]