(2R)-2-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: (2R)-2-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: (2R)-2-[(3-fluoro-4-methyl-benzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2R)-2-[[(3-fluoro-4-methylphenyl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2R)-2-[(3-fluoro-4-methylbenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2R)-2-[(3-fluoro-4-methyl-benzoyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C14H14FN3O3 MolecularWeight: 291.277663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CC2=CN=CN2)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@H](CC2=CN=CN2)C(=O)O)F

InChI

InChI=1S/C14H14FN3O3/c1-8-2-3-9(4-11(8)15)13(19)18-12(14(20)21)5-10-6-16-7-17-10/h2-4,6-7,12H,5H2,1H3,(H,16,17)(H,18,19)(H,20,21)/t12-/m1/s1