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

Systemtic Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-[(4-hydroxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(3-azaniumylpropylammonio)-4-(4-hydroxyanilino)-4-oxo-butanoate CAS Name: (2R)-2-(3-ammoniopropylammonio)-4-(4-hydroxyanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-(4-hydroxyanilino)-4-oxobutanoate Traditional Name: (2R)-2-(3-ammoniopropylammonio)-4-(4-hydroxyanilino)-4-keto-butyrate Formula: C13H20N3O4+ MolecularWeight: 282.3156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4/c14-6-1-7-15-11(13(19)20)8-12(18)16-9-2-4-10(17)5-3-9/h2-5,11,15,17H,1,6-8,14H2,(H,16,18)(H,19,20)/p+1/t11-/m1/s1