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

Systemtic Name: (2R)-2-(3-morpholin-4-ium-4-ylpropylazaniumyl)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate Openeye Name: (2R)-2-(3-morpholin-4-ium-4-ylpropylammonio)-4-oxo-4-(4-phenoxyanilino)butanoate CAS Name: (2R)-2-[3-(4-morpholin-4-iumyl)propylammonio]-4-oxo-4-(4-phenoxyanilino)butanoate IUPAC Name: (2R)-2-(3-morpholin-4-ium-4-ylpropylazaniumyl)-4-oxo-4-(4-phenoxyanilino)butanoate Traditional Name: (2R)-4-keto-2-(3-morpholin-4-ium-4-ylpropylammonio)-4-(4-phenoxyanilino)butyrate Formula: C23H30N3O5+ MolecularWeight: 428.5014

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH2+]C(CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCC[NH2+][C@H](CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C23H29N3O5/c27-22(17-21(23(28)29)24-11-4-12-26-13-15-30-16-14-26)25-18-7-9-20(10-8-18)31-19-5-2-1-3-6-19/h1-3,5-10,21,24H,4,11-17H2,(H,25,27)(H,28,29)/p+1/t21-/m1/s1