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

Systemtic Name: 2-[(3-methoxy-4-oxidanyl-phenyl)carbonyl-oxidanyl-amino]ethyl (2S)-2-azanyl-4-methylsulfanyl-butanoate Openeye Name: 2-[hydroxy-(4-hydroxy-3-methoxy-benzoyl)amino]ethyl (2S)-2-amino-4-methylsulfanyl-butanoate CAS Name: (2S)-2-amino-4-(methylthio)butanoic acid 2-[hydroxy-[(4-hydroxy-3-methoxyphenyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[hydroxy-(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S)-2-amino-4-methylsulfanylbutanoate Traditional Name: (2S)-2-amino-4-(methylthio)butyric acid 2-[hydroxy(vanilloyl)amino]ethyl ester Formula: C15H22N2O6S MolecularWeight: 358.40998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N(CCOC(=O)C(CCSC)N)O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O6S/c1-22-13-9-10(3-4-12(13)18)14(19)17(21)6-7-23-15(20)11(16)5-8-24-2/h3-4,9,11,18,21H,5-8,16H2,1-2H3/t11-/m0/s1