(2R)-2-acetamido-3-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-2-acetamido-3-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]sulfanyl-propanoic acid Openeye Name: (2R)-2-acetamido-3-[2-(4-chlorophenoxy)-2-methyl-propanoyl]sulfanyl-propanoic acid CAS Name: (2R)-2-acetamido-3-[[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]thio]propanoic acid IUPAC Name: (2R)-2-acetamido-3-[2-(4-chlorophenoxy)-2-methylpropanoyl]sulfanylpropanoic acid Traditional Name: (2R)-2-acetamido-3-[[2-(4-chlorophenoxy)-2-methyl-propanoyl]thio]propionic acid Formula: C15H18ClNO5S MolecularWeight: 359.82512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)C(C)(C)OC1=CC=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CSC(=O)C(C)(C)OC1=CC=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C15H18ClNO5S/c1-9(18)17-12(13(19)20)8-23-14(21)15(2,3)22-11-6-4-10(16)5-7-11/h4-7,12H,8H2,1-3H3,(H,17,18)(H,19,20)/t12-/m0/s1