2-[[4-[[3-azanyl-5-[[4-[bis(carboxymethyl)amino]phenyl]carbamoyl]-2,4,6-tris(iodanyl)phenyl]carbonylamino]phenyl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[4-[[3-azanyl-5-[[4-[bis(carboxymethyl)amino]phenyl]carbamoyl]-2,4,6-tris(iodanyl)phenyl]carbonylamino]phenyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[4-[[3-amino-5-[[4-[bis(carboxymethyl)amino]phenyl]carbamoyl]-2,4,6-triiodo-benzoyl]amino]-N-(carboxymethyl)anilino]acetic acid CAS Name: 2-[4-[[[3-amino-5-[[4-[bis(carboxymethyl)amino]anilino]-oxomethyl]-2,4,6-triiodophenyl]-oxomethyl]amino]-N-(carboxymethyl)anilino]acetic acid IUPAC Name: 2-[4-[[3-amino-5-[[4-[bis(carboxymethyl)amino]phenyl]carbamoyl]-2,4,6-triiodobenzoyl]amino]-N-(carboxymethyl)anilino]acetic acid Traditional Name: 2-[4-[[3-amino-5-[[4-[bis(carboxymethyl)amino]phenyl]carbamoyl]-2,4,6-triiodo-benzoyl]amino]-N-(carboxymethyl)anilino]acetic acid Formula: C28H24I3N5O10 MolecularWeight: 971.23107

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=C(C(=C(C(=C2I)N)I)C(=O)NC3=CC=C(C=C3)N(CC(=O)O)CC(=O)O)I)N(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=C(C(=C(C(=C2I)N)I)C(=O)NC3=CC=C(C=C3)N(CC(=O)O)CC(=O)O)I)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C28H24I3N5O10/c29-23-21(27(45)33-13-1-5-15(6-2-13)35(9-17(37)38)10-18(39)40)24(30)26(32)25(31)22(23)28(46)34-14-3-7-16(8-4-14)36(11-19(41)42)12-20(43)44/h1-8H,9-12,32H2,(H,33,45)(H,34,46)(H,37,38)(H,39,40)(H,41,42)(H,43,44)