(2S)-4-[(5-chloranyl-2-methyl-phenyl)amino]-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-[(5-chloranyl-2-methyl-phenyl)amino]-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(5-chloro-2-methyl-anilino)-2-(3-morpholinopropylammonio)-4-oxo-butanoate CAS Name: (2S)-4-(5-chloro-2-methylanilino)-2-[3-(4-morpholinyl)propylammonio]-4-oxobutanoate IUPAC Name: (2S)-4-(5-chloro-2-methylanilino)-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2S)-4-(5-chloro-2-methyl-anilino)-4-keto-2-(3-morpholinopropylammonio)butyrate Formula: C18H26ClN3O4 MolecularWeight: 383.86974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3O4/c1-13-3-4-14(19)11-15(13)21-17(23)12-16(18(24)25)20-5-2-6-22-7-9-26-10-8-22/h3-4,11,16,20H,2,5-10,12H2,1H3,(H,21,23)(H,24,25)/t16-/m0/s1