2-azanyl-2-(4-methyl-2-sulfanyl-phenyl)-3-oxidanyl-propanoic acid

Systemtic Name: 2-azanyl-2-(4-methyl-2-sulfanyl-phenyl)-3-oxidanyl-propanoic acid Openeye Name: 2-amino-3-hydroxy-2-(4-methyl-2-sulfanyl-phenyl)propanoic acid CAS Name: 2-amino-3-hydroxy-2-(2-mercapto-4-methylphenyl)propanoic acid IUPAC Name: 2-amino-3-hydroxy-2-(4-methyl-2-sulfanylphenyl)propanoic acid Traditional Name: 2-amino-3-hydroxy-2-(2-mercapto-4-methyl-phenyl)propionic acid Formula: C10H13NO3S MolecularWeight: 227.28012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(CO)(C(=O)O)N)S

Isomeric SMILES

CC1=CC(=C(C=C1)C(CO)(C(=O)O)N)S

InChI

InChI=1S/C10H13NO3S/c1-6-2-3-7(8(15)4-6)10(11,5-12)9(13)14/h2-4,12,15H,5,11H2,1H3,(H,13,14)