2-acetamido-3-(1H-imidazol-5-yl)propanoic acid hydrate

Systemtic Name: 2-acetamido-3-(1H-imidazol-5-yl)propanoic acid hydrate Openeye Name: 2-acetamido-3-(1H-imidazol-5-yl)propanoic acid hydrate CAS Name: 2-acetamido-3-(1H-imidazol-5-yl)propanoic acid hydrate IUPAC Name: 2-acetamido-3-(1H-imidazol-5-yl)propanoic acid hydrate Traditional Name: 2-acetamido-3-(1H-imidazol-5-yl)propionic acid hydrate Formula: C8H13N3O4 MolecularWeight: 215.20652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CN=CN1)C(=O)O.O

Isomeric SMILES

CC(=O)NC(CC1=CN=CN1)C(=O)O.O

InChI

InChI=1S/C8H11N3O3.H2O/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6;/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14);1H2