(2S)-2-(3-azaniumylpropylazaniumyl)-4-[(2-ethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-2-(3-azaniumylpropylazaniumyl)-4-[(2-ethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2S)-2-(3-azaniumylpropylammonio)-4-(2-ethylanilino)-4-oxo-butanoate CAS Name: (2S)-2-(3-ammoniopropylammonio)-4-(2-ethylanilino)-4-oxobutanoate IUPAC Name: (2S)-2-(3-azaniumylpropylazaniumyl)-4-(2-ethylanilino)-4-oxobutanoate Traditional Name: (2S)-2-(3-ammoniopropylammonio)-4-(2-ethylanilino)-4-keto-butyrate Formula: C15H24N3O3+ MolecularWeight: 294.36936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CC(C(=O)[O-])[NH2+]CCC[NH3+]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[C@@H](C(=O)[O-])[NH2+]CCC[NH3+]

InChI

InChI=1S/C15H23N3O3/c1-2-11-6-3-4-7-12(11)18-14(19)10-13(15(20)21)17-9-5-8-16/h3-4,6-7,13,17H,2,5,8-10,16H2,1H3,(H,18,19)(H,20,21)/p+1/t13-/m0/s1