(2S)-2-azanyl-3-[4-(2-oxidanylidenepropylsulfonyl)phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-(2-oxidanylidenepropylsulfonyl)phenyl]propanoic acid Openeye Name: (2S)-3-(4-acetonylsulfonylphenyl)-2-amino-propanoic acid CAS Name: (2S)-2-amino-3-[4-(2-oxopropylsulfonyl)phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-(2-oxopropylsulfonyl)phenyl]propanoic acid Traditional Name: (2S)-3-(4-acetonylsulfonylphenyl)-2-amino-propionic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c1-8(14)7-19(17,18)10-4-2-9(3-5-10)6-11(13)12(15)16/h2-5,11H,6-7,13H2,1H3,(H,15,16)/t11-/m0/s1