sulfo 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate

Systemtic Name: sulfo 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate Openeye Name: sulfo 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate CAS Name: 3-(1H-imidazol-5-yl)-2-(methylamino)propanoic acid sulfo ester IUPAC Name: sulfo 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate Traditional Name: 3-(1H-imidazol-5-yl)-2-(methylamino)propionic acid sulfo ester Formula: C7H11N3O5S MolecularWeight: 249.24434

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=CN=CN1)C(=O)OS(=O)(=O)O

Isomeric SMILES

CNC(CC1=CN=CN1)C(=O)OS(=O)(=O)O

InChI

InChI=1S/C7H11N3O5S/c1-8-6(2-5-3-9-4-10-5)7(11)15-16(12,13)14/h3-4,6,8H,2H2,1H3,(H,9,10)(H,12,13,14)