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(2R,3S)-2,3-Dihydroxy-N-methyl-N-(2'-phenyl-1',3'-dithiolane-2-ylmethyl)-3-phenylpropionamide
SpectraBase Compound ID 5wmVXnT28I9
InChI InChI=1S/C21H25NO3S2/c1-22(20(25)19(24)18(23)16-9-4-2-5-10-16)15-21(26-13-8-14-27-21)17-11-6-3-7-12-17/h2-7,9-12,18-19,23-24H,8,13-15H2,1H3/t18-,19+/m0/s1
InChIKey YJSWSHYKEMLSRW-RBUKOAKNSA-N
Mol Weight 403.56 g/mol
Molecular Formula C21H25NO3S2
Exact Mass 403.127586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGfsmZQmQU9
Name (2R,3S)-2,3-Dihydroxy-N-methyl-N-(2'-phenyl-1',3'-dithiolane-2-ylmethyl)-3-phenylpropionamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO3S2
InChI InChI=1S/C21H25NO3S2/c1-22(20(25)19(24)18(23)16-9-4-2-5-10-16)15-21(26-13-8-14-27-21)17-11-6-3-7-12-17/h2-7,9-12,18-19,23-24H,8,13-15H2,1H3/t18-,19+/m0/s1
InChIKey YJSWSHYKEMLSRW-RBUKOAKNSA-N
Molecular Weight 403.555 g/mol
SMILES O[C@]([C@](C(N(CC1(SCCCS1)c1ccccc1)C)=O)(O)[H])(c1ccccc1)[H]
SPLASH splash10-0006-9600000000-6edcb3273b390bda79f6
Source of Spectrum KC-0-211-9
Synonyms 2,3-Dihydroxy-N-methyl-3-phenyl-N-[(2-phenyl-1,3-dithian-2-yl)methyl]propanamide (2R,3S)-2,3-dihydroxy-N-methyl-3-phenyl-N-[(2-phenyl-1,3-dithian-2-yl)methyl]propanamide (2R,3S)-N-methyl-2,3-bis(oxidanyl)-3-phenyl-N-[(2-phenyl-1,3-dithian-2-yl)methyl]propanamide
Wiley ID 784961