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(1R,2R)-2-Benzyloxycarbonylamino-1-phenyl-1,3-propanedithiol diacetate
SpectraBase Compound ID JyHSy00whUg
InChI InChI=1S/C21H23NO4S2/c1-15(23)27-14-19(20(28-16(2)24)18-11-7-4-8-12-18)22-21(25)26-13-17-9-5-3-6-10-17/h3-12,19-20H,13-14H2,1-2H3,(H,22,25)/t19-,20+/m0/s1
InChIKey KKYVWWDCZJUWNZ-VQTJNVASSA-N
Mol Weight 417.54 g/mol
Molecular Formula C21H23NO4S2
Exact Mass 417.106851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7VvkLhG8T65
Name (1R,2R)-2-Benzyloxycarbonylamino-1-phenyl-1,3-propanedithiol diacetate
Alternate Name(s) S-((1R,2S)-3-(acetylsulfanyl)-2-{[(benzyloxy)carbonyl]amino}-1-phenylpropyl) ethanethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO4S2
InChI InChI=1S/C21H23NO4S2/c1-15(23)27-14-19(20(28-16(2)24)18-11-7-4-8-12-18)22-21(25)26-13-17-9-5-3-6-10-17/h3-12,19-20H,13-14H2,1-2H3,(H,22,25)/t19-,20+/m0/s1
InChIKey KKYVWWDCZJUWNZ-VQTJNVASSA-N
Molecular Weight 417.538 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@]([C@](SC(=O)C)(c1ccccc1)[H])(CSC(=O)C)[H]
SPLASH splash10-0f6x-9070000000-77609a9f92b7f7939f77
Source of Spectrum F-53-10621-16
Wiley ID 803095