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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, trimethylsilyl ester, [2S-[2.alpha.,5.alpha.,6.beta.(S*)]]-
SpectraBase Compound ID Jq5uxfK2spA
InChI InChI=1S/C19H27N3O4SSi/c1-19(2)14(18(25)26-28(3,4)5)22-16(24)13(17(22)27-19)21-15(23)12(20)11-9-7-6-8-10-11/h6-10,12-14,17H,20H2,1-5H3,(H,21,23)/t12?,13-,14+,17-/m1/s1
InChIKey MZDUTROQKUTLGQ-DSZSVDOYSA-N
Mol Weight 421.59 g/mol
Molecular Formula C19H27N3O4SSi
Exact Mass 421.149154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9altttgDuOP
Name 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, trimethylsilyl ester, [2S-[2.alpha.,5.alpha.,6.beta.(S*)]]-
CAS Registry Number 50617-61-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27N3O4SSi
InChI InChI=1S/C19H27N3O4SSi/c1-19(2)14(18(25)26-28(3,4)5)22-16(24)13(17(22)27-19)21-15(23)12(20)11-9-7-6-8-10-11/h6-10,12-14,17H,20H2,1-5H3,(H,21,23)/t12?,13-,14+,17-/m1/s1
InChIKey MZDUTROQKUTLGQ-DSZSVDOYSA-N
Molecular Weight 421.587 g/mol
SMILES N([C@@]1(C(N2[C@@]1(SC([C@@]2(C(O[Si](C)(C)C)=O)[H])(C)C)[H])=O)[H])C(C(c1ccccc1)N)=O
SPLASH splash10-0a59-0970300000-9c28de4482d3cf0bc1bb
Source of Spectrum W5-34485-31051-31051
Synonyms 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, trimethylsilyl ester, [2S-[2.alpha.,5.alp
Wiley ID 1378266