3-(1H-imidazol-5-yl)-2-(2-methyl-4-oxidanyl-6-oxidanylidene-piperidin-1-yl)propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-(2-methyl-4-oxidanyl-6-oxidanylidene-piperidin-1-yl)propanoic acid Openeye Name: 2-(4-hydroxy-2-methyl-6-oxo-1-piperidyl)-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-(4-hydroxy-2-methyl-6-oxo-1-piperidinyl)-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-(4-hydroxy-2-methyl-6-oxopiperidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-(4-hydroxy-2-keto-6-methyl-piperidino)-3-(1H-imidazol-5-yl)propionic acid Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(=O)N1C(CC2=CN=CN2)C(=O)O)O

Isomeric SMILES

CC1CC(CC(=O)N1C(CC2=CN=CN2)C(=O)O)O

InChI

InChI=1S/C12H17N3O4/c1-7-2-9(16)4-11(17)15(7)10(12(18)19)3-8-5-13-6-14-8/h5-7,9-10,16H,2-4H2,1H3,(H,13,14)(H,18,19)