(2R)-3-(2-cyanoethylsulfanyl)-2-(2,2,2-trideuterioethanoylamino)propanoic acid

Systemtic Name: (2R)-3-(2-cyanoethylsulfanyl)-2-(2,2,2-trideuterioethanoylamino)propanoic acid Openeye Name: (2R)-3-(2-cyanoethylsulfanyl)-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid CAS Name: (2R)-3-(2-cyanoethylthio)-2-[(2,2,2-trideuterio-1-oxoethyl)amino]propanoic acid IUPAC Name: (2R)-3-(2-cyanoethylsulfanyl)-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid Traditional Name: (2R)-3-(2-cyanoethylthio)-2-[(2,2,2-trideuterioacetyl)amino]propionic acid Formula: C8H12N2O3S MolecularWeight: 219.275965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSCCC#N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C8H12N2O3S/c1-6(11)10-7(8(12)13)5-14-4-2-3-9/h7H,2,4-5H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1/i1D3