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

Systemtic Name: (2S)-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxidanylidene-4-[(4-propan-2-ylphenyl)amino]butanoate Openeye Name: (2S)-4-(4-isopropylanilino)-2-(3-morpholinopropylammonio)-4-oxo-butanoate CAS Name: (2S)-2-[3-(4-morpholinyl)propylammonio]-4-oxo-4-(4-propan-2-ylanilino)butanoate IUPAC Name: (2S)-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxo-4-(4-propan-2-ylanilino)butanoate Traditional Name: (2S)-4-cumidino-4-keto-2-(3-morpholinopropylammonio)butyrate Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4/c1-15(2)16-4-6-17(7-5-16)22-19(24)14-18(20(25)26)21-8-3-9-23-10-12-27-13-11-23/h4-7,15,18,21H,3,8-14H2,1-2H3,(H,22,24)(H,25,26)/t18-/m0/s1