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Ethanimidothioic acid, 2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxopropyl]amino]-, ethyl ester, (S)-
SpectraBase Compound ID JMQjnXVcjBW
InChI InChI=1S/C12H23N3O3S/c1-6-19-9(13)7-14-10(16)8(2)15-11(17)18-12(3,4)5/h8,13H,6-7H2,1-5H3,(H,14,16)(H,15,17)/t8-/m0/s1
InChIKey RGGFYTNMHVWPAY-QMMMGPOBSA-N
Mol Weight 289.39 g/mol
Molecular Formula C12H23N3O3S
Exact Mass 289.146013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHDU9SamTDJ
Name Ethanimidothioic acid, 2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxopropyl]amino]-, ethyl ester, (S)-
Alternate Name(s) (-)-N-(tert-butoxycarbonyl)-L-alanyl-glycin-imidthiosaure-S-ethylester Ethyl 2-({(2S)-2-[(tert-butoxycarbonyl)amino]propanoyl}amino)ethanimidothioate
CAS Registry Number 109924-06-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H23N3O3S
InChI InChI=1S/C12H23N3O3S/c1-6-19-9(13)7-14-10(16)8(2)15-11(17)18-12(3,4)5/h8,13H,6-7H2,1-5H3,(H,14,16)(H,15,17)/t8-/m0/s1
InChIKey RGGFYTNMHVWPAY-QMMMGPOBSA-N
Molecular Weight 289.394 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(NCC(=N)SCC)=O)(C)[H]
SPLASH splash10-0a4i-9300000000-3590370d937d1dce6e92
Source of Spectrum H-69-1249-14
Wiley ID 1292447