(2R)-2-(6-azaniumylhexylazaniumyl)-4-[(3-hydroxyphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-[(3-hydroxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(6-azaniumylhexylammonio)-4-(3-hydroxyanilino)-4-oxo-butanoate CAS Name: (2R)-2-(6-ammoniohexylammonio)-4-(3-hydroxyanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-(3-hydroxyanilino)-4-oxobutanoate Traditional Name: (2R)-2-(6-ammoniohexylammonio)-4-(3-hydroxyanilino)-4-keto-butyrate Formula: C16H26N3O4+ MolecularWeight: 324.39534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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