2-azanyl-3-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-2-amino-propanoic acid CAS Name: 3-[(5-acetyl-2-methoxyphenyl)methylthio]-2-aminopropanoic acid IUPAC Name: 3-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-2-aminopropanoic acid Traditional Name: 3-[(5-acetyl-2-methoxy-benzyl)thio]-2-amino-propionic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC(C(=O)O)N

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC(C(=O)O)N

InChI

InChI=1S/C13H17NO4S/c1-8(15)9-3-4-12(18-2)10(5-9)6-19-7-11(14)13(16)17/h3-5,11H,6-7,14H2,1-2H3,(H,16,17)