3-[[3-(furan-2-yl)-2-[(2-iodanylphenyl)carbonylamino]prop-2-enoyl]amino]propanoic acid

Systemtic Name: 3-[[3-(furan-2-yl)-2-[(2-iodanylphenyl)carbonylamino]prop-2-enoyl]amino]propanoic acid Openeye Name: 3-[[3-(2-furyl)-2-[(2-iodobenzoyl)amino]prop-2-enoyl]amino]propanoic acid CAS Name: 3-[[3-(2-furanyl)-2-[[(2-iodophenyl)-oxomethyl]amino]-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: 3-[[3-(furan-2-yl)-2-[(2-iodobenzoyl)amino]prop-2-enoyl]amino]propanoic acid Traditional Name: 3-[[3-(2-furyl)-2-[(2-iodobenzoyl)amino]acryloyl]amino]propionic acid Formula: C17H15IN2O5 MolecularWeight: 454.21587

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=CC2=CC=CO2)C(=O)NCCC(=O)O)I

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=CC2=CC=CO2)C(=O)NCCC(=O)O)I

InChI

InChI=1S/C17H15IN2O5/c18-13-6-2-1-5-12(13)16(23)20-14(10-11-4-3-9-25-11)17(24)19-8-7-15(21)22/h1-6,9-10H,7-8H2,(H,19,24)(H,20,23)(H,21,22)