(2R)-2-azanyl-3-[5-methyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-2-azanyl-3-[5-methyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid Openeye Name: (2R)-2-amino-3-(2,3-dihydroxy-5-methyl-phenyl)sulfanyl-propanoic acid CAS Name: (2R)-2-amino-3-[(2,3-dihydroxy-5-methylphenyl)thio]propanoic acid IUPAC Name: (2R)-2-amino-3-(2,3-dihydroxy-5-methylphenyl)sulfanylpropanoic acid Traditional Name: (2R)-2-amino-3-[(2,3-dihydroxy-5-methyl-phenyl)thio]propionic acid Formula: C10H13NO4S MolecularWeight: 243.27952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)SCC(C(=O)O)N)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)SC[C@@H](C(=O)O)N)O)O

InChI

InChI=1S/C10H13NO4S/c1-5-2-7(12)9(13)8(3-5)16-4-6(11)10(14)15/h2-3,6,12-13H,4,11H2,1H3,(H,14,15)/t6-/m0/s1