(2R)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-2-(pentylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-2-(pentylazaniumyl)butanoate Openeye Name: (2R)-4-(2-cyanoanilino)-4-oxo-2-(pentylammonio)butanoate CAS Name: (2R)-4-(2-cyanoanilino)-4-oxo-2-(pentylammonio)butanoate IUPAC Name: (2R)-4-(2-cyanoanilino)-4-oxo-2-(pentylazaniumyl)butanoate Traditional Name: (2R)-2-(amylammonio)-4-(2-cyanoanilino)-4-keto-butyrate Formula: C16H21N3O3 MolecularWeight: 303.35624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH2+]C(CC(=O)NC1=CC=CC=C1C#N)C(=O)[O-]

Isomeric SMILES

CCCCC[NH2+][C@H](CC(=O)NC1=CC=CC=C1C#N)C(=O)[O-]

InChI

InChI=1S/C16H21N3O3/c1-2-3-6-9-18-14(16(21)22)10-15(20)19-13-8-5-4-7-12(13)11-17/h4-5,7-8,14,18H,2-3,6,9-10H2,1H3,(H,19,20)(H,21,22)/t14-/m1/s1