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(5S,8S,9S)-1-Benzyl-10-methyl-8,9-(phenylmethylenedioxy)-4,7-dioxo-5-methyl-3,6-diazadecanedicarboxylate

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

(5S,8S,9S)-1-Benzyl-10-methyl-8,9-(phenylmethylenedioxy)-4,7-dioxo-5-methyl-3,6-diazadecanedicarboxylate
SpectraBase Compound ID BXRowo7Vt5x
InChI InChI=1S/C24H26N2O8/c1-15(21(28)25-13-18(27)32-14-16-9-5-3-6-10-16)26-22(29)19-20(23(30)31-2)34-24(33-19)17-11-7-4-8-12-17/h3-12,15,19-20,24H,13-14H2,1-2H3,(H,25,28)(H,26,29)/t15-,19+,20+,24?/m1/s1
InChIKey KLDIAKHCFUIAPA-GPTZNIPGSA-N
Mol Weight 470.48 g/mol
Molecular Formula C24H26N2O8
Exact Mass 470.168916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JeILE86Vgeb
Name (5S,8S,9S)-1-Benzyl-10-methyl-8,9-(phenylmethylenedioxy)-4,7-dioxo-5-methyl-3,6-diazadecanedicarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.168915797 u
Formula C24H26N2O8
InChI InChI=1S/C24H26N2O8/c1-15(21(28)25-13-18(27)32-14-16-9-5-3-6-10-16)26-22(29)19-20(23(30)31-2)34-24(33-19)17-11-7-4-8-12-17/h3-12,15,19-20,24H,13-14H2,1-2H3,(H,25,28)(H,26,29)/t15-,19+,20+,24?/m1/s1
InChIKey KLDIAKHCFUIAPA-GPTZNIPGSA-N
Molecular Weight 470.478 g/mol
SMILES [C@@]1([C@](OC(O1)C=1C=CC=CC1)(C(=O)OC)[H])(C(N[C@@](C(NCC(=O)OCC=1C=CC=CC1)=O)(C)[H])=O)[H]