2-(azepan-1-ylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-(azepan-1-ylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-(azepan-1-ylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-(1-azepanylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-(azepan-1-ylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-(azepan-1-ylsulfonylamino)-3-(1H-imidazol-5-yl)propionic acid Formula: C12H20N4O4S MolecularWeight: 316.3766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)NC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C12H20N4O4S/c17-12(18)11(7-10-8-13-9-14-10)15-21(19,20)16-5-3-1-2-4-6-16/h8-9,11,15H,1-7H2,(H,13,14)(H,17,18)