(2S)-3-(1H-imidazol-5-yl)-2-[(4-methylphenyl)sulfonylcarbamoylamino]propanoic acid

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[(4-methylphenyl)sulfonylcarbamoylamino]propanoic acid Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-(p-tolylsulfonylcarbamoylamino)propanoic acid CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-[(4-methylphenyl)sulfonylcarbamoylamino]propanoic acid Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-(tosylcarbamoylamino)propionic acid Formula: C14H16N4O5S MolecularWeight: 352.36564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N[C@@H](CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C14H16N4O5S/c1-9-2-4-11(5-3-9)24(22,23)18-14(21)17-12(13(19)20)6-10-7-15-8-16-10/h2-5,7-8,12H,6H2,1H3,(H,15,16)(H,19,20)(H2,17,18,21)/t12-/m0/s1