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

Systemtic Name: (2S)-4-[(4-ethoxyphenyl)amino]-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(4-ethoxyanilino)-2-(3-morpholinopropylammonio)-4-oxo-butanoate CAS Name: (2S)-4-(4-ethoxyanilino)-2-[3-(4-morpholinyl)propylammonio]-4-oxobutanoate IUPAC Name: (2S)-4-(4-ethoxyanilino)-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2S)-4-keto-2-(3-morpholinopropylammonio)-4-(p-phenetidino)butyrate Formula: C19H29N3O5 MolecularWeight: 379.45066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCCN2CCOCC2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C[C@@H](C(=O)[O-])[NH2+]CCCN2CCOCC2

InChI

InChI=1S/C19H29N3O5/c1-2-27-16-6-4-15(5-7-16)21-18(23)14-17(19(24)25)20-8-3-9-22-10-12-26-13-11-22/h4-7,17,20H,2-3,8-14H2,1H3,(H,21,23)(H,24,25)/t17-/m0/s1