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

Systemtic Name: (2S)-4-[(2,3-dimethylphenyl)amino]-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(2,3-dimethylanilino)-2-(3-morpholinopropylammonio)-4-oxo-butanoate CAS Name: (2S)-4-(2,3-dimethylanilino)-2-[3-(4-morpholinyl)propylammonio]-4-oxobutanoate IUPAC Name: (2S)-4-(2,3-dimethylanilino)-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2S)-4-(2,3-dimethylanilino)-4-keto-2-(3-morpholinopropylammonio)butyrate Formula: C19H29N3O4 MolecularWeight: 363.45126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCCN2CCOCC2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[C@@H](C(=O)[O-])[NH2+]CCCN2CCOCC2)C

InChI

InChI=1S/C19H29N3O4/c1-14-5-3-6-16(15(14)2)21-18(23)13-17(19(24)25)20-7-4-8-22-9-11-26-12-10-22/h3,5-6,17,20H,4,7-13H2,1-2H3,(H,21,23)(H,24,25)/t17-/m0/s1