3-[4-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfonylphenyl]propanoic acid Openeye Name: 3-[4-(3-amino-2-methyl-3-oxo-propyl)sulfonylphenyl]propanoic acid CAS Name: 3-[4-(3-amino-2-methyl-3-oxopropyl)sulfonylphenyl]propanoic acid IUPAC Name: 3-[4-(3-amino-2-methyl-3-oxopropyl)sulfonylphenyl]propanoic acid Traditional Name: 3-[4-(3-amino-3-keto-2-methyl-propyl)sulfonylphenyl]propionic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)C1=CC=C(C=C1)CCC(=O)O)C(=O)N

Isomeric SMILES

CC(CS(=O)(=O)C1=CC=C(C=C1)CCC(=O)O)C(=O)N

InChI

InChI=1S/C13H17NO5S/c1-9(13(14)17)8-20(18,19)11-5-2-10(3-6-11)4-7-12(15)16/h2-3,5-6,9H,4,7-8H2,1H3,(H2,14,17)(H,15,16)