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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-formyl-3-methyl-7-oxo-6-[(phenoxyacetyl)amino]-, phenylmethyl ester, [2S-(2.alpha.,3.beta.,5.alpha.,6.beta.)]-
SpectraBase Compound ID G27EM1xVPnq
InChI InChI=1S/C23H22N2O6S/c1-23(14-26)19(22(29)31-12-15-8-4-2-5-9-15)25-20(28)18(21(25)32-23)24-17(27)13-30-16-10-6-3-7-11-16/h2-11,14,18-19,21H,12-13H2,1H3,(H,24,27)/t18-,19+,21-,23+/m1/s1
InChIKey NJOSKILSHIBKKM-XZYOPWHXSA-N
Mol Weight 454.5 g/mol
Molecular Formula C23H22N2O6S
Exact Mass 454.119858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lqw5BevMZTX
Name 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-formyl-3-methyl-7-oxo-6-[(phenoxyacetyl)amino]-, phenylmethyl ester, [2S-(2.alpha.,3.beta.,5.alpha.,6.beta.)]-
CAS Registry Number 115234-74-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N2O6S
InChI InChI=1S/C23H22N2O6S/c1-23(14-26)19(22(29)31-12-15-8-4-2-5-9-15)25-20(28)18(21(25)32-23)24-17(27)13-30-16-10-6-3-7-11-16/h2-11,14,18-19,21H,12-13H2,1H3,(H,24,27)/t18-,19+,21-,23+/m1/s1
InChIKey NJOSKILSHIBKKM-XZYOPWHXSA-N
Molecular Weight 454.497 g/mol
SMILES N([C@@]1(C(N2[C@@]1(S[C@]([C@@]2(C(OCc1ccccc1)=O)[H])(C=O)C)[H])=O)[H])C(=O)COc1ccccc1
SPLASH splash10-0006-9230000000-5741669959cdf91086c5
Source of Spectrum F-43-1008-6
Synonyms Benzyl (2S,3R,5R,6R)-3-formyl-3-methyl-7-oxo-6-phenoxyacetamido-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate benzyl (2S,3R,5R,6R)-3-formyl-3-methyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Wiley ID 1388719