2-[[4-(3,3-diphosphonopropanoylamino)-2-iodanyl-phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-(3,3-diphosphonopropanoylamino)-2-iodanyl-phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-(3,3-diphosphonopropanoylamino)-2-iodo-benzoyl]amino]acetic acid CAS Name: 2-[[[2-iodo-4-[(1-oxo-3,3-diphosphonopropyl)amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-(3,3-diphosphonopropanoylamino)-2-iodobenzoyl]amino]acetic acid Traditional Name: 2-[[4-(3,3-diphosphonopropanoylamino)-2-iodo-benzoyl]amino]acetic acid Formula: C12H15IN2O10P2 MolecularWeight: 536.106892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CC(P(=O)(O)O)P(=O)(O)O)I)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CC(P(=O)(O)O)P(=O)(O)O)I)C(=O)NCC(=O)O

InChI

InChI=1S/C12H15IN2O10P2/c13-8-3-6(1-2-7(8)12(19)14-5-10(17)18)15-9(16)4-11(26(20,21)22)27(23,24)25/h1-3,11H,4-5H2,(H,14,19)(H,15,16)(H,17,18)(H2,20,21,22)(H2,23,24,25)