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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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