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(6R,7R)-Diphenylmethyl 3-(aminocarbonyloxymethyl)-7-(2-methoxybenzylideneamino)-1-aza-8-oxo-5-thiabicyclo[4.2.0]octane-2-carboxylate

View entire compound with spectra: 1 MS (GC)

(6R,7R)-Diphenylmethyl 3-(aminocarbonyloxymethyl)-7-(2-methoxybenzylideneamino)-1-aza-8-oxo-5-thiabicyclo[4.2.0]octane-2-carboxylate
SpectraBase Compound ID HRrN7Mkaiqm
InChI InChI=1S/C30H27N3O6S/c1-37-23-15-9-8-14-21(23)16-32-24-27(34)33-25(22(17-38-30(31)36)18-40-28(24)33)29(35)39-26(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-16,24,26,28H,17-18H2,1H3,(H2,31,36)/b32-16+/t24-,28-/m1/s1
InChIKey VCUROCGBYSMKFZ-ZGTNIONYSA-N
Mol Weight 557.62 g/mol
Molecular Formula C30H27N3O6S
Exact Mass 557.162057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9GCLS090tWQ
Name (6R,7R)-Diphenylmethyl 3-(aminocarbonyloxymethyl)-7-(2-methoxybenzylideneamino)-1-aza-8-oxo-5-thiabicyclo[4.2.0]octane-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H27N3O6S
InChI InChI=1S/C30H27N3O6S/c1-37-23-15-9-8-14-21(23)16-32-24-27(34)33-25(22(17-38-30(31)36)18-40-28(24)33)29(35)39-26(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-16,24,26,28H,17-18H2,1H3,(H2,31,36)/b32-16+/t24-,28-/m1/s1
InChIKey VCUROCGBYSMKFZ-ZGTNIONYSA-N
Molecular Weight 557.621 g/mol
SMILES NC(OCC1=C(N2C(=O)[C@]([C@]2(SC1)[H])(\N=C\c1c(OC)cccc1)[H])C(OC(c1ccccc1)c1ccccc1)=O)=O
SPLASH splash10-014l-3900000000-85594a09fd21fa5c579f
Source of Spectrum F-51-13352-5
Synonyms benzhydryl (6R,7R)-3-{[(aminocarbonyl)oxy]methyl}-7-{[(E)-(2-methoxyphenyl)methylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Diphenylmethyl 3-(aminocarbonyloxymethyl)-7-(2-methoxybenzylideneamino)-1-aza-5-thiabicyclo[4.2.0]octane-2-carboxylate
Wiley ID 794489