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(2R)-2-acetamido-3-(2,5-dimethylphenyl)sulfanyl-propanoic acid

(2R)-2-acetamido-3-(2,5-dimethylphenyl)sulfanyl-propanoic acid

Systemtic Name:(2R)-2-acetamido-3-(2,5-dimethylphenyl)sulfanyl-propanoic acid
Openeye Name:(2R)-2-acetamido-3-(2,5-dimethylphenyl)sulfanyl-propanoic acid
CAS Name:(2R)-2-acetamido-3-[(2,5-dimethylphenyl)thio]propanoic acid
IUPAC Name:(2R)-2-acetamido-3-(2,5-dimethylphenyl)sulfanylpropanoic acid
Traditional Name:(2R)-2-acetamido-3-[(2,5-dimethylphenyl)thio]propionic acid
Formula: C13H17NO3S
MolecularWeight: 267.34398
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(C(=O)O)NC(=O)C


Isomeric SMILES

CC1=CC(=C(C=C1)C)SC[C@@H](C(=O)O)NC(=O)C


InChI

InChI=1S/C13H17NO3S/c1-8-4-5-9(2)12(6-8)18-7-11(13(16)17)14-10(3)15/h4-6,11H,7H2,1-3H3,(H,14,15)(H,16,17)/t11-/m0/s1


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