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

Systemtic Name: (2S)-4-[(4-methylphenyl)amino]-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(4-methylanilino)-2-(3-morpholinopropylammonio)-4-oxo-butanoate CAS Name: (2S)-4-(4-methylanilino)-2-[3-(4-morpholinyl)propylammonio]-4-oxobutanoate IUPAC Name: (2S)-4-(4-methylanilino)-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2S)-4-keto-2-(3-morpholinopropylammonio)-4-(p-toluidino)butyrate Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4/c1-14-3-5-15(6-4-14)20-17(22)13-16(18(23)24)19-7-2-8-21-9-11-25-12-10-21/h3-6,16,19H,2,7-13H2,1H3,(H,20,22)(H,23,24)/t16-/m0/s1