2-[(3-azanyl-3-oxidanylidene-propyl)-(1H-imidazol-2-yl)amino]-4,4-dimethyl-pentanoic acid

Systemtic Name: 2-[(3-azanyl-3-oxidanylidene-propyl)-(1H-imidazol-2-yl)amino]-4,4-dimethyl-pentanoic acid Openeye Name: 2-[(3-amino-3-oxo-propyl)-(1H-imidazol-2-yl)amino]-4,4-dimethyl-pentanoic acid CAS Name: 2-[(3-amino-3-oxopropyl)-(1H-imidazol-2-yl)amino]-4,4-dimethylpentanoic acid IUPAC Name: 2-[(3-amino-3-oxopropyl)-(1H-imidazol-2-yl)amino]-4,4-dimethylpentanoic acid Traditional Name: 2-[(3-amino-3-keto-propyl)-(1H-imidazol-2-yl)amino]-4,4-dimethyl-valeric acid Formula: C13H22N4O3 MolecularWeight: 282.33878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)O)N(CCC(=O)N)C1=NC=CN1

Isomeric SMILES

CC(C)(C)CC(C(=O)O)N(CCC(=O)N)C1=NC=CN1

InChI

InChI=1S/C13H22N4O3/c1-13(2,3)8-9(11(19)20)17(7-4-10(14)18)12-15-5-6-16-12/h5-6,9H,4,7-8H2,1-3H3,(H2,14,18)(H,15,16)(H,19,20)