(2S)-2-[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: (2S)-2-[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: (2S)-2-[(2-chloro-6-fluoro-benzoyl)amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-[[(2-chloro-6-fluorophenyl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2S)-2-[(2-chloro-6-fluorobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-[(2-chloro-6-fluoro-benzoyl)amino]-3-(1H-imidazol-5-yl)propionate Formula: C13H10ClFN3O3- MolecularWeight: 310.688203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C(=O)NC(CC2=CN=CN2)C(=O)[O-])F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C(=O)N[C@@H](CC2=CN=CN2)C(=O)[O-])F

InChI

InChI=1S/C13H11ClFN3O3/c14-8-2-1-3-9(15)11(8)12(19)18-10(13(20)21)4-7-5-16-6-17-7/h1-3,5-6,10H,4H2,(H,16,17)(H,18,19)(H,20,21)/p-1/t10-/m0/s1