2-acetamido-3-[4-[bis(2-iodanylethyl)amino]phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[4-[bis(2-iodanylethyl)amino]phenyl]propanoic acid Openeye Name: 2-acetamido-3-[4-[bis(2-iodoethyl)amino]phenyl]propanoic acid CAS Name: 2-acetamido-3-[4-[bis(2-iodoethyl)amino]phenyl]propanoic acid IUPAC Name: 2-acetamido-3-[4-[bis(2-iodoethyl)amino]phenyl]propanoic acid Traditional Name: 2-acetamido-3-[4-[bis(2-iodoethyl)amino]phenyl]propionic acid Formula: C15H20I2N2O3 MolecularWeight: 530.13984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)N(CCI)CCI)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)N(CCI)CCI)C(=O)O

InChI

InChI=1S/C15H20I2N2O3/c1-11(20)18-14(15(21)22)10-12-2-4-13(5-3-12)19(8-6-16)9-7-17/h2-5,14H,6-10H2,1H3,(H,18,20)(H,21,22)