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Methyl N-(tert-butoxycarbonyl)-S-[(6-acetoxy-4-dibenzothiopheneyl)thio]-L-cysteinate
SpectraBase Compound ID Bfs3Ul52aaW
InChI InChI=1S/C23H25NO6S3/c1-13(25)29-17-10-6-8-14-15-9-7-11-18(20(15)32-19(14)17)33-31-12-16(21(26)28-5)24-22(27)30-23(2,3)4/h6-11,16H,12H2,1-5H3,(H,24,27)/t16-/m0/s1
InChIKey JVNAHQSJUQXRIS-INIZCTEOSA-N
Mol Weight 507.63 g/mol
Molecular Formula C23H25NO6S3
Exact Mass 507.084401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2h2bLyUPRKS
Name Methyl N-(tert-butoxycarbonyl)-S-[(6-acetoxy-4-dibenzothiopheneyl)thio]-L-cysteinate
Alternate Name(s) Methyl (2R)-3-{[6-(acetyloxy)dibenzo[b,d]thien-4-yl]disulfanyl}-2-[(tert-butoxycarbonyl)amino]propanoate
CAS Registry Number 118143-65-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NO6S3
InChI InChI=1S/C23H25NO6S3/c1-13(25)29-17-10-6-8-14-15-9-7-11-18(20(15)32-19(14)17)33-31-12-16(21(26)28-5)24-22(27)30-23(2,3)4/h6-11,16H,12H2,1-5H3,(H,24,27)/t16-/m0/s1
InChIKey JVNAHQSJUQXRIS-INIZCTEOSA-N
Molecular Weight 507.634 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](CSSc1c2sc3c(cccc3OC(=O)C)c2ccc1)(C(=O)OC)[H]
SPLASH splash10-0a4i-9022000000-190b6dbc9bcbe55d33ae
Source of Spectrum J-54-1601-0
Wiley ID 1400000