2-azanyl-3-methyl-3-sulfanyl-butanoic acid; 2-oxidanylidene-2-phenyl-ethanal

Systemtic Name: 2-azanyl-3-methyl-3-sulfanyl-butanoic acid; 2-oxidanylidene-2-phenyl-ethanal Openeye Name: 2-amino-3-methyl-3-sulfanyl-butanoic acid; 2-oxo-2-phenyl-acetaldehyde CAS Name: 2-amino-3-mercapto-3-methylbutanoic acid; 2-oxo-2-phenylacetaldehyde IUPAC Name: 2-amino-3-methyl-3-sulfanylbutanoic acid; 2-oxo-2-phenylacetaldehyde Traditional Name: 2-amino-3-mercapto-3-methyl-butyric acid; 2-keto-2-phenyl-acetaldehyde Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)N)S.C1=CC=C(C=C1)C(=O)C=O

Isomeric SMILES

CC(C)(C(C(=O)O)N)S.C1=CC=C(C=C1)C(=O)C=O

InChI

InChI=1S/C8H6O2.C5H11NO2S/c9-6-8(10)7-4-2-1-3-5-7;1-5(2,9)3(6)4(7)8/h1-6H;3,9H,6H2,1-2H3,(H,7,8)