(2R)-2-acetamido-3-sulfanyl-propanoic acid; N-(4-hydroxyphenyl)ethanamide

Systemtic Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; N-(4-hydroxyphenyl)ethanamide Openeye Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; N-(4-hydroxyphenyl)acetamide CAS Name: (2R)-2-acetamido-3-mercaptopropanoic acid; N-(4-hydroxyphenyl)acetamide IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid; N-(4-hydroxyphenyl)acetamide Traditional Name: (2R)-2-acetamido-3-mercapto-propionic acid; N-(4-hydroxyphenyl)acetamide Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)O.CC(=O)NC(CS)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)O.CC(=O)N[C@@H](CS)C(=O)O

InChI

InChI=1S/C8H9NO2.C5H9NO3S/c1-6(10)9-7-2-4-8(11)5-3-7;1-3(7)6-4(2-10)5(8)9/h2-5,11H,1H3,(H,9,10);4,10H,2H2,1H3,(H,6,7)(H,8,9)/t;4-/m.0/s1