2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanoylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanoylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[2-(3,5-dimethylisoxazol-4-yl)acetyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[2-(3,5-dimethyl-4-isoxazolyl)-1-oxoethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[2-(3,5-dimethylisoxazol-4-yl)acetyl]amino]-4-mesyl-butyric acid Formula: C12H18N2O6S MolecularWeight: 318.34612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CC(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)CC(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H18N2O6S/c1-7-9(8(2)20-14-7)6-11(15)13-10(12(16)17)4-5-21(3,18)19/h10H,4-6H2,1-3H3,(H,13,15)(H,16,17)