(2S)-2-azanyl-3-(3-methylimidazol-4-yl)propanoic acid hydrate

Systemtic Name: (2S)-2-azanyl-3-(3-methylimidazol-4-yl)propanoic acid hydrate Openeye Name: (2S)-2-amino-3-(3-methylimidazol-4-yl)propanoic acid hydrate CAS Name: (2S)-2-amino-3-(3-methyl-4-imidazolyl)propanoic acid hydrate IUPAC Name: (2S)-2-amino-3-(3-methylimidazol-4-yl)propanoic acid hydrate Traditional Name: (2S)-2-amino-3-(3-methylimidazol-4-yl)propionic acid hydrate Formula: C7H13N3O3 MolecularWeight: 187.19642

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CC(C(=O)O)N.O

Isomeric SMILES

CN1C=NC=C1C[C@@H](C(=O)O)N.O

InChI

InChI=1S/C7H11N3O2.H2O/c1-10-4-9-3-5(10)2-6(8)7(11)12;/h3-4,6H,2,8H2,1H3,(H,11,12);1H2/t6-;/m0./s1