3-[2-acetamido-1-(1H-imidazol-5-yl)ethyl]pentanedioate

Systemtic Name: 3-[2-acetamido-1-(1H-imidazol-5-yl)ethyl]pentanedioate Openeye Name: 3-[2-acetamido-1-(1H-imidazol-5-yl)ethyl]pentanedioate CAS Name: 3-[2-acetamido-1-(1H-imidazol-5-yl)ethyl]pentanedioate IUPAC Name: 3-[2-acetamido-1-(1H-imidazol-5-yl)ethyl]pentanedioate Traditional Name: 3-[2-acetamido-1-(1H-imidazol-5-yl)ethyl]glutarate Formula: C12H15N3O5-2 MolecularWeight: 281.2646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(C1=CN=CN1)C(CC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

CC(=O)NCC(C1=CN=CN1)C(CC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C12H17N3O5/c1-7(16)14-4-9(10-5-13-6-15-10)8(2-11(17)18)3-12(19)20/h5-6,8-9H,2-4H2,1H3,(H,13,15)(H,14,16)(H,17,18)(H,19,20)/p-2