(2S)-2-(azepan-1-ylsulfonylazaniumyl)-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: (2S)-2-(azepan-1-ylsulfonylazaniumyl)-3-(1H-imidazol-5-yl)propanoate Openeye Name: (2S)-2-(azepan-1-ylsulfonylammonio)-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-(1-azepanylsulfonylammonio)-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2S)-2-(azepan-1-ylsulfonylazaniumyl)-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-(azepan-1-ylsulfonylammonio)-3-(1H-imidazol-5-yl)propionate Formula: C12H20N4O4S MolecularWeight: 316.3766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)[NH2+]C(CC2=CN=CN2)C(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)[NH2+][C@@H](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)/t11-/m0/s1