(2R)-2-(3-azaniumylpropylazaniumyl)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate

Systemtic Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate Openeye Name: (2R)-2-(3-azaniumylpropylammonio)-4-oxo-4-(4-phenoxyanilino)butanoate CAS Name: (2R)-2-(3-ammoniopropylammonio)-4-oxo-4-(4-phenoxyanilino)butanoate IUPAC Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-oxo-4-(4-phenoxyanilino)butanoate Traditional Name: (2R)-2-(3-ammoniopropylammonio)-4-keto-4-(4-phenoxyanilino)butyrate Formula: C19H24N3O4+ MolecularWeight: 358.41156

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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+]CCC[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4/c20-11-4-12-21-17(19(24)25)13-18(23)22-14-7-9-16(10-8-14)26-15-5-2-1-3-6-15/h1-3,5-10,17,21H,4,11-13,20H2,(H,22,23)(H,24,25)/p+1/t17-/m1/s1