(2S)-2-[(4-bromanyl-2-fluoranyl-phenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: (2S)-2-[(4-bromanyl-2-fluoranyl-phenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: (2S)-2-[(4-bromo-2-fluoro-benzoyl)amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-[[(4-bromo-2-fluorophenyl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2S)-2-[(4-bromo-2-fluorobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-[(4-bromo-2-fluoro-benzoyl)amino]-3-(1H-imidazol-5-yl)propionate Formula: C13H10BrFN3O3- MolecularWeight: 355.139203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)C(=O)NC(CC2=CN=CN2)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Br)F)C(=O)N[C@@H](CC2=CN=CN2)C(=O)[O-]

InChI

InChI=1S/C13H11BrFN3O3/c14-7-1-2-9(10(15)3-7)12(19)18-11(13(20)21)4-8-5-16-6-17-8/h1-3,5-6,11H,4H2,(H,16,17)(H,18,19)(H,20,21)/p-1/t11-/m0/s1