4-[[2-cyano-5-(2-methylundecylamino)-5-oxidanylidene-pentan-2-yl]diazenyl]-4-isocyano-pentanoic acid

Systemtic Name: 4-[[2-cyano-5-(2-methylundecylamino)-5-oxidanylidene-pentan-2-yl]diazenyl]-4-isocyano-pentanoic acid Openeye Name: 4-[1-cyano-1-methyl-4-(2-methylundecylamino)-4-oxo-butyl]azo-4-isocyano-pentanoic acid CAS Name: 4-[2-cyano-5-(2-methylundecylamino)-5-oxopentan-2-yl]azo-4-isocyanopentanoic acid IUPAC Name: 4-[[2-cyano-5-(2-methylundecylamino)-5-oxopentan-2-yl]diazenyl]-4-isocyanopentanoic acid Traditional Name: 4-[1-cyano-4-keto-1-methyl-4-(2-methylundecylamino)butyl]azo-4-isocyano-valeric acid Formula: C24H41N5O3 MolecularWeight: 447.61404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)CNC(=O)CCC(C)(C#N)N=NC(C)(CCC(=O)O)[N+]#[C-]

Isomeric SMILES

CCCCCCCCCC(C)CNC(=O)CCC(C)(C#N)N=NC(C)(CCC(=O)O)[N+]#[C-]

InChI

InChI=1S/C24H41N5O3/c1-6-7-8-9-10-11-12-13-20(2)18-27-21(30)14-16-23(3,19-25)28-29-24(4,26-5)17-15-22(31)32/h20H,6-18H2,1-4H3,(H,27,30)(H,31,32)