(2R)-3-(1-cyano-2-oxidanyl-ethyl)sulfanyl-2-(2,2,2-trideuterioethanoylamino)propanoic acid

Systemtic Name: (2R)-3-(1-cyano-2-oxidanyl-ethyl)sulfanyl-2-(2,2,2-trideuterioethanoylamino)propanoic acid Openeye Name: (2R)-3-(1-cyano-2-hydroxy-ethyl)sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid CAS Name: (2R)-3-[(1-cyano-2-hydroxyethyl)thio]-2-[(2,2,2-trideuterio-1-oxoethyl)amino]propanoic acid IUPAC Name: (2R)-3-(1-cyano-2-hydroxyethyl)sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid Traditional Name: (2R)-3-[(1-cyano-2-hydroxy-ethyl)thio]-2-[(2,2,2-trideuterioacetyl)amino]propionic acid Formula: C8H12N2O4S MolecularWeight: 235.275365

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(CO)C#N)C(=O)O

Isomeric SMILES

[2H]C([2H])([2H])C(=O)N[C@@H](CSC(CO)C#N)C(=O)O

InChI

InChI=1S/C8H12N2O4S/c1-5(12)10-7(8(13)14)4-15-6(2-9)3-11/h6-7,11H,3-4H2,1H3,(H,10,12)(H,13,14)/t6?,7-/m0/s1/i1D3