(2S)-4-[(4-fluorophenyl)amino]-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-[(4-fluorophenyl)amino]-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(4-fluoroanilino)-2-(3-morpholinopropylammonio)-4-oxo-butanoate CAS Name: (2S)-4-(4-fluoroanilino)-2-[3-(4-morpholinyl)propylammonio]-4-oxobutanoate IUPAC Name: (2S)-4-(4-fluoroanilino)-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2S)-4-(4-fluoroanilino)-4-keto-2-(3-morpholinopropylammonio)butyrate Formula: C17H24FN3O4 MolecularWeight: 353.388563

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC[NH2+]C(CC(=O)NC2=CC=C(C=C2)F)C(=O)[O-]

Isomeric SMILES

C1COCCN1CCC[NH2+][C@@H](CC(=O)NC2=CC=C(C=C2)F)C(=O)[O-]

InChI

InChI=1S/C17H24FN3O4/c18-13-2-4-14(5-3-13)20-16(22)12-15(17(23)24)19-6-1-7-21-8-10-25-11-9-21/h2-5,15,19H,1,6-12H2,(H,20,22)(H,23,24)/t15-/m0/s1