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

Systemtic Name: (2R)-3-(5-acetamido-2-oxidanyl-phenyl)sulfanyl-2-azaniumyl-propanoate Openeye Name: (2R)-3-(5-acetamido-2-hydroxy-phenyl)sulfanyl-2-azaniumyl-propanoate CAS Name: (2R)-3-[(5-acetamido-2-hydroxyphenyl)thio]-2-ammoniopropanoate IUPAC Name: (2R)-3-(5-acetamido-2-hydroxyphenyl)sulfanyl-2-azaniumylpropanoate Traditional Name: (2R)-3-[(5-acetamido-2-hydroxy-phenyl)thio]-2-ammonio-propionate Formula: C11H14N2O4S MolecularWeight: 270.30486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)O)SCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)O)SC[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H14N2O4S/c1-6(14)13-7-2-3-9(15)10(4-7)18-5-8(12)11(16)17/h2-4,8,15H,5,12H2,1H3,(H,13,14)(H,16,17)/t8-/m0/s1