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(2R,6R,7R)-3-(benzoyloxymethyl)-7-(carbomethoxyamino)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid tert-butyl ester
SpectraBase Compound ID KMC95VouMKo
InChI InChI=1S/C21H24N2O7S/c1-21(2,3)30-19(26)15-13(10-29-18(25)12-8-6-5-7-9-12)11-31-17-14(16(24)23(15)17)22-20(27)28-4/h5-9,11,14-15,17H,10H2,1-4H3,(H,22,27)/t14-,15-,17-/m1/s1
InChIKey LOCYWOKMFBGLLE-BFYDXBDKSA-N
Mol Weight 448.49 g/mol
Molecular Formula C21H24N2O7S
Exact Mass 448.130422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbiziofLpPj
Name (2R,6R,7R)-3-(benzoyloxymethyl)-7-(carbomethoxyamino)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid tert-butyl ester
CAS Registry Number 103864-99-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O7S
InChI InChI=1S/C21H24N2O7S/c1-21(2,3)30-19(26)15-13(10-29-18(25)12-8-6-5-7-9-12)11-31-17-14(16(24)23(15)17)22-20(27)28-4/h5-9,11,14-15,17H,10H2,1-4H3,(H,22,27)/t14-,15-,17-/m1/s1
InChIKey LOCYWOKMFBGLLE-BFYDXBDKSA-N
Molecular Weight 448.490 g/mol
SMILES N([C@]1([C@@]2(N(C1=O)[C@@](C(OC(C)(C)C)=O)(C(=CS2)COC(=O)c1ccccc1)[H])[H])[H])C(=O)OC
SPLASH splash10-0a4i-4930000000-c2868af5536e2ccdcdaa
Source of Spectrum Y-22-1006-5
Synonyms (2R,6R,7R)-3-(benzoyloxymethyl)-7-(methoxycarbonylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid tert-butyl ester tert-Butyl (2R,6R,7R)-7-(methoxycarbonylamino)-8-oxidanylidene-3-(phenylcarbonyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate
Wiley ID 1387085