(2S)-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxidanylidene-4-(pyridin-3-ylamino)butanoate

Systemtic Name: (2S)-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxidanylidene-4-(pyridin-3-ylamino)butanoate Openeye Name: (2S)-2-(3-morpholinopropylammonio)-4-oxo-4-(3-pyridylamino)butanoate CAS Name: (2S)-2-[3-(4-morpholinyl)propylammonio]-4-oxo-4-(3-pyridinylamino)butanoate IUPAC Name: (2S)-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxo-4-(pyridin-3-ylamino)butanoate Traditional Name: (2S)-4-keto-2-(3-morpholinopropylammonio)-4-(3-pyridylamino)butyrate Formula: C16H24N4O4 MolecularWeight: 336.38616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O4/c21-15(19-13-3-1-4-17-12-13)11-14(16(22)23)18-5-2-6-20-7-9-24-10-8-20/h1,3-4,12,14,18H,2,5-11H2,(H,19,21)(H,22,23)/t14-/m0/s1