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

Systemtic Name: (2S)-4-[(4-acetamidophenyl)amino]-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(4-acetamidoanilino)-2-(3-morpholinopropylammonio)-4-oxo-butanoate CAS Name: (2S)-4-(4-acetamidoanilino)-2-[3-(4-morpholinyl)propylammonio]-4-oxobutanoate IUPAC Name: (2S)-4-(4-acetamidoanilino)-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2S)-4-(4-acetamidoanilino)-4-keto-2-(3-morpholinopropylammonio)butyrate Formula: C19H28N4O5 MolecularWeight: 392.44942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCCN2CCOCC2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[C@@H](C(=O)[O-])[NH2+]CCCN2CCOCC2

InChI

InChI=1S/C19H28N4O5/c1-14(24)21-15-3-5-16(6-4-15)22-18(25)13-17(19(26)27)20-7-2-8-23-9-11-28-12-10-23/h3-6,17,20H,2,7-13H2,1H3,(H,21,24)(H,22,25)(H,26,27)/t17-/m0/s1