(2S)-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxidanylidene-4-phenylazanyl-butanoate

Systemtic Name: (2S)-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxidanylidene-4-phenylazanyl-butanoate Openeye Name: (2S)-4-anilino-2-(3-morpholinopropylammonio)-4-oxo-butanoate CAS Name: (2S)-4-anilino-2-[3-(4-morpholinyl)propylammonio]-4-oxobutanoate IUPAC Name: (2S)-4-anilino-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2S)-4-anilino-4-keto-2-(3-morpholinopropylammonio)butyrate Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4/c21-16(19-14-5-2-1-3-6-14)13-15(17(22)23)18-7-4-8-20-9-11-24-12-10-20/h1-3,5-6,15,18H,4,7-13H2,(H,19,21)(H,22,23)/t15-/m0/s1