(2R)-4-[(3-fluorophenyl)amino]-2-(hexylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(3-fluorophenyl)amino]-2-(hexylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(3-fluoroanilino)-2-(hexylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(3-fluoroanilino)-2-(hexylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(3-fluoroanilino)-2-(hexylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(3-fluoroanilino)-2-(hexylammonio)-4-keto-butyrate Formula: C16H23FN2O3 MolecularWeight: 310.363823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]C(CC(=O)NC1=CC(=CC=C1)F)C(=O)[O-]

Isomeric SMILES

CCCCCC[NH2+][C@H](CC(=O)NC1=CC(=CC=C1)F)C(=O)[O-]

InChI

InChI=1S/C16H23FN2O3/c1-2-3-4-5-9-18-14(16(21)22)11-15(20)19-13-8-6-7-12(17)10-13/h6-8,10,14,18H,2-5,9,11H2,1H3,(H,19,20)(H,21,22)/t14-/m1/s1