(2S)-2-acetamido-3-(2,3,4,5,6-pentadeuteriophenyl)sulfanyl-propanoic acid

Systemtic Name: (2S)-2-acetamido-3-(2,3,4,5,6-pentadeuteriophenyl)sulfanyl-propanoic acid Openeye Name: (2S)-2-acetamido-3-(2,3,4,5,6-pentadeuteriophenyl)sulfanyl-propanoic acid CAS Name: (2S)-2-acetamido-3-[(2,3,4,5,6-pentadeuteriophenyl)thio]propanoic acid IUPAC Name: (2S)-2-acetamido-3-(2,3,4,5,6-pentadeuteriophenyl)sulfanylpropanoic acid Traditional Name: (2S)-2-acetamido-3-[(2,3,4,5,6-pentadeuteriophenyl)thio]propionic acid Formula: C11H13NO3S MolecularWeight: 244.321629

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC=C1)C(=O)O

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])SC[C@H](C(=O)O)NC(=O)C)[2H])[2H]

InChI

InChI=1S/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m1/s1/i2D,3D,4D,5D,6D