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

Systemtic Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-[(2-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(3-azaniumylpropylammonio)-4-(2-methylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(3-ammoniopropylammonio)-4-(2-methylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-(2-methylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(3-ammoniopropylammonio)-4-keto-4-(o-toluidino)butyrate Formula: C14H22N3O3+ MolecularWeight: 280.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC(C(=O)[O-])[NH2+]CCC[NH3+]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC[NH3+]

InChI

InChI=1S/C14H21N3O3/c1-10-5-2-3-6-11(10)17-13(18)9-12(14(19)20)16-8-4-7-15/h2-3,5-6,12,16H,4,7-9,15H2,1H3,(H,17,18)(H,19,20)/p+1/t12-/m1/s1