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

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[(4-iodophenyl)carbonylamino]propanoate Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-[(4-iodobenzoyl)amino]propanoate CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(4-iodophenyl)-oxomethyl]amino]propanoate IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-[(4-iodobenzoyl)amino]propanoate Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-[(4-iodobenzoyl)amino]propionate Formula: C13H11IN3O3- MolecularWeight: 384.14921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CC2=CN=CN2)C(=O)[O-])I

Isomeric SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CC2=CN=CN2)C(=O)[O-])I

InChI

InChI=1S/C13H12IN3O3/c14-9-3-1-8(2-4-9)12(18)17-11(13(19)20)5-10-6-15-7-16-10/h1-4,6-7,11H,5H2,(H,15,16)(H,17,18)(H,19,20)/p-1/t11-/m0/s1