(2R)-2-(6-azaniumylhexylazaniumyl)-4-[(4-fluorophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-[(4-fluorophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(6-azaniumylhexylammonio)-4-(4-fluoroanilino)-4-oxo-butanoate CAS Name: (2R)-2-(6-ammoniohexylammonio)-4-(4-fluoroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-(4-fluoroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(6-ammoniohexylammonio)-4-(4-fluoroanilino)-4-keto-butyrate Formula: C16H25FN3O3+ MolecularWeight: 326.386403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CC(C(=O)[O-])[NH2+]CCCCCC[NH3+])F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C[C@H](C(=O)[O-])[NH2+]CCCCCC[NH3+])F

InChI

InChI=1S/C16H24FN3O3/c17-12-5-7-13(8-6-12)20-15(21)11-14(16(22)23)19-10-4-2-1-3-9-18/h5-8,14,19H,1-4,9-11,18H2,(H,20,21)(H,22,23)/p+1/t14-/m1/s1