2-[(4-methoxy-3-oxidanyl-phenyl)carbonylamino]ethyl (2S)-2-azanyl-4-methylsulfanyl-butanoate

Systemtic Name: 2-[(4-methoxy-3-oxidanyl-phenyl)carbonylamino]ethyl (2S)-2-azanyl-4-methylsulfanyl-butanoate Openeye Name: 2-[(3-hydroxy-4-methoxy-benzoyl)amino]ethyl (2S)-2-amino-4-methylsulfanyl-butanoate CAS Name: (2S)-2-amino-4-(methylthio)butanoic acid 2-[[(3-hydroxy-4-methoxyphenyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(3-hydroxy-4-methoxybenzoyl)amino]ethyl (2S)-2-amino-4-methylsulfanylbutanoate Traditional Name: (2S)-2-amino-4-(methylthio)butyric acid 2-(isovanilloylamino)ethyl ester Formula: C15H22N2O5S MolecularWeight: 342.41058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCOC(=O)C(CCSC)N)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCOC(=O)[C@H](CCSC)N)O

InChI

InChI=1S/C15H22N2O5S/c1-21-13-4-3-10(9-12(13)18)14(19)17-6-7-22-15(20)11(16)5-8-23-2/h3-4,9,11,18H,5-8,16H2,1-2H3,(H,17,19)/t11-/m0/s1