(2R)-2-(6-azaniumylhexylazaniumyl)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate

Systemtic Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate Openeye Name: (2R)-2-(6-azaniumylhexylammonio)-4-oxo-4-(4-phenoxyanilino)butanoate CAS Name: (2R)-2-(6-ammoniohexylammonio)-4-oxo-4-(4-phenoxyanilino)butanoate IUPAC Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-oxo-4-(4-phenoxyanilino)butanoate Traditional Name: (2R)-2-(6-ammoniohexylammonio)-4-keto-4-(4-phenoxyanilino)butyrate Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CC(C(=O)[O-])[NH2+]CCCCCC[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCCCCC[NH3+]

InChI

InChI=1S/C22H29N3O4/c23-14-6-1-2-7-15-24-20(22(27)28)16-21(26)25-17-10-12-19(13-11-17)29-18-8-4-3-5-9-18/h3-5,8-13,20,24H,1-2,6-7,14-16,23H2,(H,25,26)(H,27,28)/p+1/t20-/m1/s1