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

Systemtic Name: (2S)-2-(3-cyclopentylpropanoylamino)-3-(1H-imidazol-3-ium-5-yl)propanoate Openeye Name: (2S)-2-(3-cyclopentylpropanoylamino)-3-(1H-imidazol-3-ium-5-yl)propanoate CAS Name: (2S)-2-[(3-cyclopentyl-1-oxopropyl)amino]-3-(1H-imidazol-3-ium-5-yl)propanoate IUPAC Name: (2S)-2-(3-cyclopentylpropanoylamino)-3-(1H-imidazol-3-ium-5-yl)propanoate Traditional Name: (2S)-2-(3-cyclopentylpropanoylamino)-3-(1H-imidazol-3-ium-5-yl)propionate Formula: C14H21N3O3 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NC(CC2=C[NH+]=CN2)C(=O)[O-]

Isomeric SMILES

C1CCC(C1)CCC(=O)N[C@@H](CC2=C[NH+]=CN2)C(=O)[O-]

InChI

InChI=1S/C14H21N3O3/c18-13(6-5-10-3-1-2-4-10)17-12(14(19)20)7-11-8-15-9-16-11/h8-10,12H,1-7H2,(H,15,16)(H,17,18)(H,19,20)/t12-/m0/s1