4-azanyl-2-(octanoylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-(octanoylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-(octanoylamino)-4-oxo-butanoic acid CAS Name: 4-amino-4-oxo-2-(1-oxooctylamino)butanoic acid IUPAC Name: 4-amino-2-(octanoylamino)-4-oxobutanoic acid Traditional Name: 4-amino-2-(caprylylamino)-4-keto-butyric acid Formula: C12H22N2O4 MolecularWeight: 258.31408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C12H22N2O4/c1-2-3-4-5-6-7-11(16)14-9(12(17)18)8-10(13)15/h9H,2-8H2,1H3,(H2,13,15)(H,14,16)(H,17,18)