(2S)-4-[(3-methylphenyl)amino]-2-(2-morpholin-4-ylethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-[(3-methylphenyl)amino]-2-(2-morpholin-4-ylethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(3-methylanilino)-2-(2-morpholinoethylammonio)-4-oxo-butanoate CAS Name: (2S)-4-(3-methylanilino)-2-[2-(4-morpholinyl)ethylammonio]-4-oxobutanoate IUPAC Name: (2S)-4-(3-methylanilino)-2-(2-morpholin-4-ylethylazaniumyl)-4-oxobutanoate Traditional Name: (2S)-4-keto-2-(2-morpholinoethylammonio)-4-(m-toluidino)butyrate Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCN2CCOCC2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[C@@H](C(=O)[O-])[NH2+]CCN2CCOCC2

InChI

InChI=1S/C17H25N3O4/c1-13-3-2-4-14(11-13)19-16(21)12-15(17(22)23)18-5-6-20-7-9-24-10-8-20/h2-4,11,15,18H,5-10,12H2,1H3,(H,19,21)(H,22,23)/t15-/m0/s1