(2S)-2-(2-azanylethylsulfonylamino)-3-(1-methylimidazol-4-yl)propanoic acid

Systemtic Name: (2S)-2-(2-azanylethylsulfonylamino)-3-(1-methylimidazol-4-yl)propanoic acid Openeye Name: (2S)-2-(2-aminoethylsulfonylamino)-3-(1-methylimidazol-4-yl)propanoic acid CAS Name: (2S)-2-(2-aminoethylsulfonylamino)-3-(1-methyl-4-imidazolyl)propanoic acid IUPAC Name: (2S)-2-(2-aminoethylsulfonylamino)-3-(1-methylimidazol-4-yl)propanoic acid Traditional Name: (2S)-3-(1-methylimidazol-4-yl)-2-(taurylamino)propionic acid Formula: C9H16N4O4S MolecularWeight: 276.31274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)CC(C(=O)O)NS(=O)(=O)CCN

Isomeric SMILES

CN1C=C(N=C1)C[C@@H](C(=O)O)NS(=O)(=O)CCN

InChI

InChI=1S/C9H16N4O4S/c1-13-5-7(11-6-13)4-8(9(14)15)12-18(16,17)3-2-10/h5-6,8,12H,2-4,10H2,1H3,(H,14,15)/t8-/m0/s1