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L-Cysteine, N,S-bis(o-anisoyl)-, methyl ester

View entire compound with spectra: 1 NMR

L-Cysteine, N,S-bis(o-anisoyl)-, methyl ester
SpectraBase Compound ID KCCvsnMtLvg
InChI InChI=1S/C20H21NO6S/c1-25-16-10-6-4-8-13(16)18(22)21-15(19(23)27-3)12-28-20(24)14-9-5-7-11-17(14)26-2/h4-11,15H,12H2,1-3H3,(H,21,22)
InChIKey ZOLHAAQVQVIVNH-UHFFFAOYSA-N
Mol Weight 403.45 g/mol
Molecular Formula C20H21NO6S
Exact Mass 403.108959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5TpePhBTalU
Name L-Cysteine, N,S-bis(o-anisoyl)-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 403.108958568 u
Formula C20H21NO6S
InChI InChI=1S/C20H21NO6S/c1-25-16-10-6-4-8-13(16)18(22)21-15(19(23)27-3)12-28-20(24)14-9-5-7-11-17(14)26-2/h4-11,15H,12H2,1-3H3,(H,21,22)
InChIKey ZOLHAAQVQVIVNH-UHFFFAOYSA-N
Molecular Weight 403.449 g/mol
SMILES C1=CC=C(C(=C1)OC)C(NC(C(OC)=O)CSC(C=1C(OC)=CC=CC1)=O)=O