5-(5-azanyl-2-cyano-phenyl)-4-(2-methylhexanoylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(5-azanyl-2-cyano-phenyl)-4-(2-methylhexanoylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(5-amino-2-cyano-phenyl)-4-(2-methylhexanoylamino)-5-oxo-pentanoic acid CAS Name: 5-(5-amino-2-cyanophenyl)-4-[(2-methyl-1-oxohexyl)amino]-5-oxopentanoic acid IUPAC Name: 5-(5-amino-2-cyanophenyl)-4-(2-methylhexanoylamino)-5-oxopentanoic acid Traditional Name: 5-(5-amino-2-cyano-phenyl)-5-keto-4-(2-methylhexanoylamino)valeric acid Formula: C19H25N3O4 MolecularWeight: 359.4195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(=O)NC(CCC(=O)O)C(=O)C1=C(C=CC(=C1)N)C#N

Isomeric SMILES

CCCCC(C)C(=O)NC(CCC(=O)O)C(=O)C1=C(C=CC(=C1)N)C#N

InChI

InChI=1S/C19H25N3O4/c1-3-4-5-12(2)19(26)22-16(8-9-17(23)24)18(25)15-10-14(21)7-6-13(15)11-20/h6-7,10,12,16H,3-5,8-9,21H2,1-2H3,(H,22,26)(H,23,24)