2-azanyl-2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]-4-oxidanylidene-3-sulfonyl-butanoic acid

Systemtic Name: 2-azanyl-2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]-4-oxidanylidene-3-sulfonyl-butanoic acid Openeye Name: 2-amino-2-[4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]-4-oxo-3-sulfonyl-butanoic acid CAS Name: 2-amino-2-[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]-4-oxo-3-sulfonylbutanoic acid IUPAC Name: 2-amino-2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]-4-oxo-3-sulfonylbutanoic acid Traditional Name: 2-amino-4-keto-2-[4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]-3-sulfonyl-butyric acid Formula: C20H16N2O6S MolecularWeight: 412.41584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)C(C(=S(=O)=O)C=O)(C(=O)O)N

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)C(C(=S(=O)=O)C=O)(C(=O)O)N

InChI

InChI=1S/C20H16N2O6S/c1-12-17(18(22-28-12)14-5-3-2-4-6-14)13-7-9-15(10-8-13)20(21,19(24)25)16(11-23)29(26)27/h2-11H,21H2,1H3,(H,24,25)