(2S)-2-acetamido-3-(5-acetamido-2-oxidanyl-phenyl)sulfanyl-propanoate

Systemtic Name: (2S)-2-acetamido-3-(5-acetamido-2-oxidanyl-phenyl)sulfanyl-propanoate Openeye Name: (2S)-2-acetamido-3-(5-acetamido-2-hydroxy-phenyl)sulfanyl-propanoate CAS Name: (2S)-2-acetamido-3-[(5-acetamido-2-hydroxyphenyl)thio]propanoate IUPAC Name: (2S)-2-acetamido-3-(5-acetamido-2-hydroxyphenyl)sulfanylpropanoate Traditional Name: (2S)-2-acetamido-3-[(5-acetamido-2-hydroxy-phenyl)thio]propionate Formula: C13H15N2O5S- MolecularWeight: 311.3336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)O)SCC(C(=O)[O-])NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5S/c1-7(16)14-9-3-4-11(18)12(5-9)21-6-10(13(19)20)15-8(2)17/h3-5,10,18H,6H2,1-2H3,(H,14,16)(H,15,17)(H,19,20)/p-1/t10-/m1/s1