sodium (2R)-2-acetamido-3-[2,4-dideuterio-6-oxidanyl-3-(2,2,2-trideuterioethanoylamino)phenyl]sulfanyl-propanoate

Systemtic Name: sodium (2R)-2-acetamido-3-[2,4-dideuterio-6-oxidanyl-3-(2,2,2-trideuterioethanoylamino)phenyl]sulfanyl-propanoate Openeye Name: sodium (2R)-2-acetamido-3-[2,4-dideuterio-6-hydroxy-3-[(2,2,2-trideuterioacetyl)amino]phenyl]sulfanyl-propanoate CAS Name: sodium (2R)-2-acetamido-3-[[2,4-dideuterio-6-hydroxy-3-[(2,2,2-trideuterio-1-oxoethyl)amino]phenyl]thio]propanoate IUPAC Name: sodium (2R)-2-acetamido-3-[2,4-dideuterio-6-hydroxy-3-[(2,2,2-trideuterioacetyl)amino]phenyl]sulfanylpropanoate Traditional Name: sodium (2R)-2-acetamido-3-[[2,4-dideuterio-6-hydroxy-3-[(2,2,2-trideuterioacetyl)amino]phenyl]thio]propionate Formula: C13H15N2NaO5S MolecularWeight: 339.354179

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)O)SCC(C(=O)[O-])NC(=O)C.[Na+]

Isomeric SMILES

[2H]C1=CC(=C(C(=C1NC(=O)C([2H])([2H])[2H])[2H])SC[C@@H](C(=O)[O-])NC(=O)C)O.[Na+]

InChI

InChI=1S/C13H16N2O5S.Na/c1-7(16)14-9-3-4-11(18)12(5-9)21-6-10(13(19)20)15-8(2)17;/h3-5,10,18H,6H2,1-2H3,(H,14,16)(H,15,17)(H,19,20);/q;+1/p-1/t10-;/m0./s1/i1D3,3D,5D;