2-azanyl-3-[2-oxidanyl-5-(2,2,2-trideuterioethanoylamino)phenyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-oxidanyl-5-(2,2,2-trideuterioethanoylamino)phenyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-hydroxy-5-[(2,2,2-trideuterioacetyl)amino]phenyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-hydroxy-5-[(2,2,2-trideuterio-1-oxoethyl)amino]phenyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-hydroxy-5-[(2,2,2-trideuterioacetyl)amino]phenyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-hydroxy-5-[(2,2,2-trideuterioacetyl)amino]phenyl]thio]propionic acid Formula: C11H14N2O4S MolecularWeight: 273.323345

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)O)SCC(C(=O)O)N

Isomeric SMILES

[2H]C([2H])([2H])C(=O)NC1=CC(=C(C=C1)O)SCC(C(=O)O)N

InChI

InChI=1S/C11H14N2O4S/c1-6(14)13-7-2-3-9(15)10(4-7)18-5-8(12)11(16)17/h2-4,8,15H,5,12H2,1H3,(H,13,14)(H,16,17)/i1D3