2-methyl-3-[(2S)-3-oxidanyl-3-oxidanylidene-2-(2,2,2-trideuterioethanoylamino)propyl]sulfanyl-propanoic acid

Systemtic Name: 2-methyl-3-[(2S)-3-oxidanyl-3-oxidanylidene-2-(2,2,2-trideuterioethanoylamino)propyl]sulfanyl-propanoic acid Openeye Name: 3-[(2S)-3-hydroxy-3-oxo-2-[(2,2,2-trideuterioacetyl)amino]propyl]sulfanyl-2-methyl-propanoic acid CAS Name: 3-[[(2S)-3-hydroxy-3-oxo-2-[(2,2,2-trideuterio-1-oxoethyl)amino]propyl]thio]-2-methylpropanoic acid IUPAC Name: 3-[(2S)-3-hydroxy-3-oxo-2-[(2,2,2-trideuterioacetyl)amino]propyl]sulfanyl-2-methylpropanoic acid Traditional Name: 3-[[(2S)-3-hydroxy-3-keto-2-[(2,2,2-trideuterioacetyl)amino]propyl]thio]-2-methyl-propionic acid Formula: C9H15NO5S MolecularWeight: 252.302585

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC(C(=O)O)NC(=O)C)C(=O)O

Isomeric SMILES

[2H]C([2H])([2H])C(=O)N[C@H](CSCC(C)C(=O)O)C(=O)O

InChI

InChI=1S/C9H15NO5S/c1-5(8(12)13)3-16-4-7(9(14)15)10-6(2)11/h5,7H,3-4H2,1-2H3,(H,10,11)(H,12,13)(H,14,15)/t5?,7-/m1/s1/i2D3