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

Systemtic Name: (2S)-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxidanylidene-4-[(4-phenylazanylphenyl)amino]butanoate Openeye Name: (2S)-4-(4-anilinoanilino)-2-(3-morpholinopropylammonio)-4-oxo-butanoate CAS Name: (2S)-4-(4-anilinoanilino)-2-[3-(4-morpholinyl)propylammonio]-4-oxobutanoate IUPAC Name: (2S)-4-(4-anilinoanilino)-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2S)-4-(4-anilinoanilino)-4-keto-2-(3-morpholinopropylammonio)butyrate Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC[NH2+]C(CC(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1COCCN1CCC[NH2+][C@@H](CC(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C23H30N4O4/c28-22(17-21(23(29)30)24-11-4-12-27-13-15-31-16-14-27)26-20-9-7-19(8-10-20)25-18-5-2-1-3-6-18/h1-3,5-10,21,24-25H,4,11-17H2,(H,26,28)(H,29,30)/t21-/m0/s1