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

Systemtic Name: (2R)-4-[(4-hydroxyphenyl)amino]-2-(3-morpholin-4-ium-4-ylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-hydroxyanilino)-2-(3-morpholin-4-ium-4-ylpropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-hydroxyanilino)-2-[3-(4-morpholin-4-iumyl)propylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-hydroxyanilino)-2-(3-morpholin-4-ium-4-ylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-hydroxyanilino)-4-keto-2-(3-morpholin-4-ium-4-ylpropylammonio)butyrate Formula: C17H26N3O5+ MolecularWeight: 352.40544

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH2+]C(CC(=O)NC2=CC=C(C=C2)O)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCC[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)/p+1/t15-/m1/s1