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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4/c1-14-4-2-5-15(12-14)20-17(22)13-16(18(23)24)19-6-3-7-21-8-10-25-11-9-21/h2,4-5,12,16,19H,3,6-11,13H2,1H3,(H,20,22)(H,23,24)/t16-/m0/s1