(2R)-2-azanyl-3-[4-methoxy-6-methoxycarbonyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-2-azanyl-3-[4-methoxy-6-methoxycarbonyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid Openeye Name: (2R)-2-amino-3-(2,3-dihydroxy-4-methoxy-6-methoxycarbonyl-phenyl)sulfanyl-propanoic acid CAS Name: (2R)-2-amino-3-[(2,3-dihydroxy-4-methoxy-6-methoxycarbonylphenyl)thio]propanoic acid IUPAC Name: (2R)-2-amino-3-(2,3-dihydroxy-4-methoxy-6-methoxycarbonylphenyl)sulfanylpropanoic acid Traditional Name: (2R)-2-amino-3-[(6-carbomethoxy-2,3-dihydroxy-4-methoxy-phenyl)thio]propionic acid Formula: C12H15NO7S MolecularWeight: 317.315

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)OC)SCC(C(=O)O)N)O)O

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)OC)SC[C@@H](C(=O)O)N)O)O

InChI

InChI=1S/C12H15NO7S/c1-19-7-3-5(12(18)20-2)10(9(15)8(7)14)21-4-6(13)11(16)17/h3,6,14-15H,4,13H2,1-2H3,(H,16,17)/t6-/m0/s1