2-[(3-iodanyl-4-oxidanyl-phenyl)methyl]-4-[[4-(oxidanylamino)-4-oxidanylidene-1-phenyl-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[(3-iodanyl-4-oxidanyl-phenyl)methyl]-4-[[4-(oxidanylamino)-4-oxidanylidene-1-phenyl-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[1-benzyl-3-(hydroxyamino)-3-oxo-propyl]amino]-2-[(4-hydroxy-3-iodo-phenyl)methyl]-4-oxo-butanoic acid CAS Name: 4-[[4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]amino]-2-[(4-hydroxy-3-iodophenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-[[4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]amino]-2-[(4-hydroxy-3-iodophenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-[[1-benzyl-3-(hydroxyamino)-3-keto-propyl]amino]-2-(4-hydroxy-3-iodo-benzyl)-4-keto-butyric acid Formula: C21H23IN2O6 MolecularWeight: 526.32159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)NO)NC(=O)CC(CC2=CC(=C(C=C2)O)I)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(=O)NO)NC(=O)CC(CC2=CC(=C(C=C2)O)I)C(=O)O

InChI

InChI=1S/C21H23IN2O6/c22-17-10-14(6-7-18(17)25)8-15(21(28)29)11-19(26)23-16(12-20(27)24-30)9-13-4-2-1-3-5-13/h1-7,10,15-16,25,30H,8-9,11-12H2,(H,23,26)(H,24,27)(H,28,29)