3-(1H-imidazol-5-yl)-2-[(3-methylsulfonylphenyl)carbonylamino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[(3-methylsulfonylphenyl)carbonylamino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[(3-mesylbenzoyl)amino]propionic acid Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C14H15N3O5S/c1-23(21,22)11-4-2-3-9(5-11)13(18)17-12(14(19)20)6-10-7-15-8-16-10/h2-5,7-8,12H,6H2,1H3,(H,15,16)(H,17,18)(H,19,20)