(2R)-2-(3-azaniumylpropylazaniumyl)-4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butanoate

Systemtic Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butanoate Openeye Name: (2R)-2-(3-azaniumylpropylammonio)-4-oxo-4-(2,4,6-trimethylanilino)butanoate CAS Name: (2R)-2-(3-ammoniopropylammonio)-4-oxo-4-(2,4,6-trimethylanilino)butanoate IUPAC Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-oxo-4-(2,4,6-trimethylanilino)butanoate Traditional Name: (2R)-2-(3-ammoniopropylammonio)-4-keto-4-mesidino-butyrate Formula: C16H26N3O3+ MolecularWeight: 308.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CC(C(=O)[O-])[NH2+]CCC[NH3+])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC[NH3+])C

InChI

InChI=1S/C16H25N3O3/c1-10-7-11(2)15(12(3)8-10)19-14(20)9-13(16(21)22)18-6-4-5-17/h7-8,13,18H,4-6,9,17H2,1-3H3,(H,19,20)(H,21,22)/p+1/t13-/m1/s1