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(2S,5R,6R)-1-Benzyl-7-methyl 5,6-bis(benzoyloxy)-2-methyl-4-oxo-3-azaheptanedicarboxylate
SpectraBase Compound ID G7ck9qYJe47
InChI InChI=1S/C29H27NO9/c1-19(26(32)37-18-20-12-6-3-7-13-20)30-25(31)23(38-27(33)21-14-8-4-9-15-21)24(29(35)36-2)39-28(34)22-16-10-5-11-17-22/h3-17,19,23-24H,18H2,1-2H3,(H,30,31)/t19-,23+,24+/m0/s1
InChIKey OQUJWHITCLGBRG-WUMKDDEVSA-N
Mol Weight 533.53 g/mol
Molecular Formula C29H27NO9
Exact Mass 533.168581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzH69sEsRbS
Name (2S,5R,6R)-1-Benzyl-7-methyl 5,6-bis(benzoyloxy)-2-methyl-4-oxo-3-azaheptanedicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H27NO9
InChI InChI=1S/C29H27NO9/c1-19(26(32)37-18-20-12-6-3-7-13-20)30-25(31)23(38-27(33)21-14-8-4-9-15-21)24(29(35)36-2)39-28(34)22-16-10-5-11-17-22/h3-17,19,23-24H,18H2,1-2H3,(H,30,31)/t19-,23+,24+/m0/s1
InChIKey OQUJWHITCLGBRG-WUMKDDEVSA-N
Molecular Weight 533.533 g/mol
SMILES N(C([C@@]([C@@](OC(=O)c1ccccc1)(C(=O)OC)[H])(OC(=O)c1ccccc1)[H])=O)[C@](C(OCc1ccccc1)=O)(C)[H]
SPLASH splash10-0a4i-4609050000-d08586b517ece941b21d
Source of Spectrum QE-6-253-9
Synonyms (1R,2R)-2-(benzoyloxy)-1-({[(1S)-2-(benzyloxy)-1-methyl-2-oxoethyl]amino}carbonyl)-3-methoxy-3-oxopropyl benzoate
Wiley ID 844575