(2S)-2-[3-(4-iodophenyl)propanoylamino]propanoic acid

Systemtic Name: (2S)-2-[3-(4-iodophenyl)propanoylamino]propanoic acid Openeye Name: (2S)-2-[3-(4-iodophenyl)propanoylamino]propanoic acid CAS Name: (2S)-2-[[3-(4-iodophenyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-2-[3-(4-iodophenyl)propanoylamino]propanoic acid Traditional Name: (2S)-2-[3-(4-iodophenyl)propanoylamino]propionic acid Formula: C12H14INO3 MolecularWeight: 347.14893

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CCC1=CC=C(C=C1)I

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)CCC1=CC=C(C=C1)I

InChI

InChI=1S/C12H14INO3/c1-8(12(16)17)14-11(15)7-4-9-2-5-10(13)6-3-9/h2-3,5-6,8H,4,7H2,1H3,(H,14,15)(H,16,17)/t8-/m0/s1