2-(2-ethylhexanoylamino)-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-(2-ethylhexanoylamino)-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-(2-ethylhexanoylamino)-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[(2-ethyl-1-oxohexyl)amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-(2-ethylhexanoylamino)-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-(2-ethylhexanoylamino)-3-(1H-imidazol-5-yl)propionic acid Formula: C14H23N3O3 MolecularWeight: 281.35072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O3/c1-3-5-6-10(4-2)13(18)17-12(14(19)20)7-11-8-15-9-16-11/h8-10,12H,3-7H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)