(2S)-2-[2-(4-bromophenyl)ethanoylamino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: (2S)-2-[2-(4-bromophenyl)ethanoylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: (2S)-2-[[2-(4-bromophenyl)acetyl]amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-[[2-(4-bromophenyl)-1-oxoethyl]amino]-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2S)-2-[[2-(4-bromophenyl)acetyl]amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-[[2-(4-bromophenyl)acetyl]amino]-3-(1H-imidazol-5-yl)propionate Formula: C14H13BrN3O3- MolecularWeight: 351.17532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)NC(CC2=CN=CN2)C(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1CC(=O)N[C@@H](CC2=CN=CN2)C(=O)[O-])Br

InChI

InChI=1S/C14H14BrN3O3/c15-10-3-1-9(2-4-10)5-13(19)18-12(14(20)21)6-11-7-16-8-17-11/h1-4,7-8,12H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/p-1/t12-/m0/s1