(2S)-2-(3-cyclohexylpropanoylamino)-3-(1H-imidazol-3-ium-5-yl)propanoate

Systemtic Name: (2S)-2-(3-cyclohexylpropanoylamino)-3-(1H-imidazol-3-ium-5-yl)propanoate Openeye Name: (2S)-2-(3-cyclohexylpropanoylamino)-3-(1H-imidazol-3-ium-5-yl)propanoate CAS Name: (2S)-2-[(3-cyclohexyl-1-oxopropyl)amino]-3-(1H-imidazol-3-ium-5-yl)propanoate IUPAC Name: (2S)-2-(3-cyclohexylpropanoylamino)-3-(1H-imidazol-3-ium-5-yl)propanoate Traditional Name: (2S)-2-(3-cyclohexylpropanoylamino)-3-(1H-imidazol-3-ium-5-yl)propionate Formula: C15H23N3O3 MolecularWeight: 293.36142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(CC2=C[NH+]=CN2)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)CCC(=O)N[C@@H](CC2=C[NH+]=CN2)C(=O)[O-]

InChI

InChI=1S/C15H23N3O3/c19-14(7-6-11-4-2-1-3-5-11)18-13(15(20)21)8-12-9-16-10-17-12/h9-11,13H,1-8H2,(H,16,17)(H,18,19)(H,20,21)/t13-/m0/s1