2-oxidanyl-4-phenyl-3-(2-sulfanylethanoylamino)butanoic acid

Systemtic Name: 2-oxidanyl-4-phenyl-3-(2-sulfanylethanoylamino)butanoic acid Openeye Name: 2-hydroxy-4-phenyl-3-[(2-sulfanylacetyl)amino]butanoic acid CAS Name: 2-hydroxy-3-[(2-mercapto-1-oxoethyl)amino]-4-phenylbutanoic acid IUPAC Name: 2-hydroxy-4-phenyl-3-[(2-sulfanylacetyl)amino]butanoic acid Traditional Name: 2-hydroxy-3-[(2-mercaptoacetyl)amino]-4-phenyl-butyric acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(C(=O)O)O)NC(=O)CS

Isomeric SMILES

C1=CC=C(C=C1)CC(C(C(=O)O)O)NC(=O)CS

InChI

InChI=1S/C12H15NO4S/c14-10(7-18)13-9(11(15)12(16)17)6-8-4-2-1-3-5-8/h1-5,9,11,15,18H,6-7H2,(H,13,14)(H,16,17)