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1,4-Thiazepan-5-one-3-carboxylic acid, 6-benzyloxycarbonylamino-2,2-dimethyl-
SpectraBase Compound ID BL8NWIXkkKU
InChI InChI=1S/C16H20N2O5S/c1-16(2)12(14(20)21)18-13(19)11(9-24-16)17-15(22)23-8-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)
InChIKey VQNUYFZGTRCWGK-UHFFFAOYSA-N
Mol Weight 352.41 g/mol
Molecular Formula C16H20N2O5S
Exact Mass 352.109293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JXnSdAAGKsE
Name 1,4-Thiazepan-5-one-3-carboxylic acid, 6-benzyloxycarbonylamino-2,2-dimethyl-
CAS Registry Number 109570-67-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O5S
InChI InChI=1S/C16H20N2O5S/c1-16(2)12(14(20)21)18-13(19)11(9-24-16)17-15(22)23-8-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)
InChIKey VQNUYFZGTRCWGK-UHFFFAOYSA-N
Molecular Weight 352.405 g/mol
SMILES N1C(C(CSC(C1C(=O)O)(C)C)NC(=O)OCc1ccccc1)=O
SPLASH splash10-0006-9210000000-bacbfae6c8eaa19656d3
Synonyms 2,2-Dimethyl-5-oxidanylidene-6-(phenylmethoxycarbonylamino)-1,4-thiazepane-3-carboxylic acid 2,2-Dimethyl-5-oxo-6-(phenylmethoxycarbonylamino)-1,4-thiazepane-3-carboxylic acid 6-(benzyloxycarbonylamino)-2,2-dimethyl-5-oxo-1,4-thiazepane-3-carboxylic acid 6-(benzyloxycarbonylamino)-5-keto-2,2-dimethyl-1,4-thiazepane-3-carboxylic acid
Wiley ID 1479313