(2S)-3-(1H-imidazol-5-yl)-2-[(2-iodanylphenyl)carbonylamino]propanoic acid

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[(2-iodanylphenyl)carbonylamino]propanoic acid Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-[(2-iodobenzoyl)amino]propanoic acid CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(2-iodophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-[(2-iodobenzoyl)amino]propanoic acid Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-[(2-iodobenzoyl)amino]propionic acid Formula: C13H12IN3O3 MolecularWeight: 385.15715

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(CC2=CN=CN2)C(=O)O)I

Isomeric SMILES

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

InChI

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