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

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-oxidanyl-propanoic acid hydrate Openeye Name: (2S)-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid hydrate CAS Name: (2S)-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid hydrate IUPAC Name: (2S)-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid hydrate Traditional Name: (2S)-2-hydroxy-3-(1H-imidazol-5-yl)propionic acid hydrate Formula: C6H10N2O4 MolecularWeight: 174.1546

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)O)O.O

Isomeric SMILES

C1=C(NC=N1)C[C@@H](C(=O)O)O.O

InChI

InChI=1S/C6H8N2O3.H2O/c9-5(6(10)11)1-4-2-7-3-8-4;/h2-3,5,9H,1H2,(H,7,8)(H,10,11);1H2/t5-;/m0./s1