methyl (2R)-2-azanyl-3-[[5-(hydroxymethyl)-2-oxidanyl-phenyl]methylsulfanyl]propanoate

Systemtic Name: methyl (2R)-2-azanyl-3-[[5-(hydroxymethyl)-2-oxidanyl-phenyl]methylsulfanyl]propanoate Openeye Name: methyl (2R)-2-amino-3-[[2-hydroxy-5-(hydroxymethyl)phenyl]methylsulfanyl]propanoate CAS Name: (2R)-2-amino-3-[[2-hydroxy-5-(hydroxymethyl)phenyl]methylthio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-amino-3-[[2-hydroxy-5-(hydroxymethyl)phenyl]methylsulfanyl]propanoate Traditional Name: (2R)-2-amino-3-[(2-hydroxy-5-methylol-benzyl)thio]propionic acid methyl ester Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=C(C=CC(=C1)CO)O)N

Isomeric SMILES

COC(=O)[C@H](CSCC1=C(C=CC(=C1)CO)O)N

InChI

InChI=1S/C12H17NO4S/c1-17-12(16)10(13)7-18-6-9-4-8(5-14)2-3-11(9)15/h2-4,10,14-15H,5-7,13H2,1H3/t10-/m0/s1