2-[[4-[(7-azanyl-2-iodanyl-heptanoyl)amino]phenyl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[4-[(7-azanyl-2-iodanyl-heptanoyl)amino]phenyl]carbonylamino]butanedioic acid Openeye Name: 2-[[4-[(7-amino-2-iodo-heptanoyl)amino]benzoyl]amino]butanedioic acid CAS Name: 2-[[[4-[(7-amino-2-iodo-1-oxoheptyl)amino]phenyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[4-[(7-amino-2-iodoheptanoyl)amino]benzoyl]amino]butanedioic acid Traditional Name: 2-[[4-[(7-amino-2-iodo-heptanoyl)amino]benzoyl]amino]succinic acid Formula: C18H24IN3O6 MolecularWeight: 505.30413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CCCCCN)I

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CCCCCN)I

InChI

InChI=1S/C18H24IN3O6/c19-13(4-2-1-3-9-20)17(26)21-12-7-5-11(6-8-12)16(25)22-14(18(27)28)10-15(23)24/h5-8,13-14H,1-4,9-10,20H2,(H,21,26)(H,22,25)(H,23,24)(H,27,28)