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

Systemtic Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-[(4-hydroxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(6-azaniumylhexylammonio)-4-(4-hydroxyanilino)-4-oxo-butanoate CAS Name: (2R)-2-(6-ammoniohexylammonio)-4-(4-hydroxyanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-(4-hydroxyanilino)-4-oxobutanoate Traditional Name: (2R)-2-(6-ammoniohexylammonio)-4-(4-hydroxyanilino)-4-keto-butyrate Formula: C16H26N3O4+ MolecularWeight: 324.39534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CC(C(=O)[O-])[NH2+]CCCCCC[NH3+])O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C[C@H](C(=O)[O-])[NH2+]CCCCCC[NH3+])O

InChI

InChI=1S/C16H25N3O4/c17-9-3-1-2-4-10-18-14(16(22)23)11-15(21)19-12-5-7-13(20)8-6-12/h5-8,14,18,20H,1-4,9-11,17H2,(H,19,21)(H,22,23)/p+1/t14-/m1/s1