2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(3-ethyl-5-methyl-isoxazole-4-carbonyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(3-ethyl-5-methyl-4-isoxazolyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(3-ethyl-5-methyl-isoxazole-4-carbonyl)amino]-4-mesyl-butyric acid Formula: C12H18N2O6S MolecularWeight: 318.34612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)NC(CCS(=O)(=O)C)C(=O)O)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)NC(CCS(=O)(=O)C)C(=O)O)C

InChI

InChI=1S/C12H18N2O6S/c1-4-8-10(7(2)20-14-8)11(15)13-9(12(16)17)5-6-21(3,18)19/h9H,4-6H2,1-3H3,(H,13,15)(H,16,17)