methyl (2R)-2-acetamido-3-(5-acetamido-2-oxidanyl-phenyl)sulfanyl-propanoate

Systemtic Name: methyl (2R)-2-acetamido-3-(5-acetamido-2-oxidanyl-phenyl)sulfanyl-propanoate Openeye Name: methyl (2R)-2-acetamido-3-(5-acetamido-2-hydroxy-phenyl)sulfanyl-propanoate CAS Name: (2R)-2-acetamido-3-[(5-acetamido-2-hydroxyphenyl)thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-acetamido-3-(5-acetamido-2-hydroxyphenyl)sulfanylpropanoate Traditional Name: (2R)-2-acetamido-3-[(5-acetamido-2-hydroxy-phenyl)thio]propionic acid methyl ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)O)SCC(C(=O)OC)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)O)SC[C@@H](C(=O)OC)NC(=O)C

InChI

InChI=1S/C14H18N2O5S/c1-8(17)15-10-4-5-12(19)13(6-10)22-7-11(14(20)21-3)16-9(2)18/h4-6,11,19H,7H2,1-3H3,(H,15,17)(H,16,18)/t11-/m0/s1