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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4/c14-6-3-7-15-10(13(19)20)8-12(18)16-9-4-1-2-5-11(9)17/h1-2,4-5,10,15,17H,3,6-8,14H2,(H,16,18)(H,19,20)/p+1/t10-/m1/s1