(2S)-3-(1H-imidazol-5-yl)-2-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]propanoic acid

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]propanoic acid Openeye Name: (2S)-2-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-2-[(1-hydroxy-1-oxopropan-2-yl)amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2S)-2-[(1-hydroxy-1-oxopropan-2-yl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-2-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C9H13N3O4 MolecularWeight: 227.21722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C(=O)O)N[C@@H](CC1=CN=CN1)C(=O)O

InChI

InChI=1S/C9H13N3O4/c1-5(8(13)14)12-7(9(15)16)2-6-3-10-4-11-6/h3-5,7,12H,2H2,1H3,(H,10,11)(H,13,14)(H,15,16)/t5?,7-/m0/s1