(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 4-methyl-2-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 4-methyl-2-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; 4-methyl-2-oxo-pentanoic acid CAS Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; 4-methyl-2-oxopentanoic acid IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; 4-methyl-2-oxopentanoic acid Traditional Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propionic acid; 2-keto-4-methyl-valeric acid Formula: C12H19N3O5 MolecularWeight: 285.29636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H9N3O2.C6H10O3/c7-5(6(10)11)1-4-2-8-3-9-4;1-4(2)3-5(7)6(8)9/h2-3,5H,1,7H2,(H,8,9)(H,10,11);4H,3H2,1-2H3,(H,8,9)/t5-;/m0./s1