(2S)-3-(1H-imidazol-5-yl)-2-[(phenylmethyl)sulfonylamino]propanoate

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[(phenylmethyl)sulfonylamino]propanoate Openeye Name: (2S)-2-(benzylsulfonylamino)-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[(phenylmethyl)sulfonylamino]propanoate IUPAC Name: (2S)-2-(benzylsulfonylamino)-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-(benzylsulfonylamino)-3-(1H-imidazol-5-yl)propionate Formula: C13H14N3O4S- MolecularWeight: 308.33296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)N[C@@H](CC2=CN=CN2)C(=O)[O-]

InChI

InChI=1S/C13H15N3O4S/c17-13(18)12(6-11-7-14-9-15-11)16-21(19,20)8-10-4-2-1-3-5-10/h1-5,7,9,12,16H,6,8H2,(H,14,15)(H,17,18)/p-1/t12-/m0/s1