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

Systemtic Name: (2S)-4-[(4-hydroxyphenyl)amino]-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(4-hydroxyanilino)-2-(3-morpholinopropylammonio)-4-oxo-butanoate CAS Name: (2S)-4-(4-hydroxyanilino)-2-[3-(4-morpholinyl)propylammonio]-4-oxobutanoate IUPAC Name: (2S)-4-(4-hydroxyanilino)-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2S)-4-(4-hydroxyanilino)-4-keto-2-(3-morpholinopropylammonio)butyrate Formula: C17H25N3O5 MolecularWeight: 351.3975

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC[NH2+]C(CC(=O)NC2=CC=C(C=C2)O)C(=O)[O-]

Isomeric SMILES

C1COCCN1CCC[NH2+][C@@H](CC(=O)NC2=CC=C(C=C2)O)C(=O)[O-]

InChI

InChI=1S/C17H25N3O5/c21-14-4-2-13(3-5-14)19-16(22)12-15(17(23)24)18-6-1-7-20-8-10-25-11-9-20/h2-5,15,18,21H,1,6-12H2,(H,19,22)(H,23,24)/t15-/m0/s1