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3-Benzylsulfanyl-2-(4-methoxy-benzoylamino)-propionic acid

View entire compound with spectra: 1 MS (GC)

3-Benzylsulfanyl-2-(4-methoxy-benzoylamino)-propionic acid
SpectraBase Compound ID KhSZDMGkypC
InChI InChI=1S/C18H19NO4S/c1-23-15-9-7-14(8-10-15)17(20)19-16(18(21)22)12-24-11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H,19,20)(H,21,22)
InChIKey PDEOKSSYZFDQAL-UHFFFAOYSA-N
Mol Weight 345.41 g/mol
Molecular Formula C18H19NO4S
Exact Mass 345.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GRuiHA33Nu
Name 3-Benzylsulfanyl-2-(4-methoxy-benzoylamino)-propionic acid
Alternate Name(s) Benzyl-N-(4-methoxybenzoyl)cysteine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO4S
InChI InChI=1S/C18H19NO4S/c1-23-15-9-7-14(8-10-15)17(20)19-16(18(21)22)12-24-11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H,19,20)(H,21,22)
InChIKey PDEOKSSYZFDQAL-UHFFFAOYSA-N
Molecular Weight 345.413 g/mol
SMILES N(C(c1ccc(cc1)OC)=O)C(C(=O)O)CSCc1ccccc1
SPLASH splash10-0udu-5920000000-fbcdfa2aed8583b34e7a
Wiley ID 1451011