4-[[2-(2-iodanylethanoylamino)-3-methyl-butanoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[2-(2-iodanylethanoylamino)-3-methyl-butanoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[[2-[(2-iodoacetyl)amino]-3-methyl-butanoyl]amino]benzoic acid CAS Name: 2-hydroxy-4-[[2-[(2-iodo-1-oxoethyl)amino]-3-methyl-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[[2-[(2-iodoacetyl)amino]-3-methylbutanoyl]amino]benzoic acid Traditional Name: 2-hydroxy-4-[[2-[(2-iodoacetyl)amino]-3-methyl-butanoyl]amino]benzoic acid Formula: C14H17IN2O5 MolecularWeight: 420.19965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC(=C(C=C1)C(=O)O)O)NC(=O)CI

Isomeric SMILES

CC(C)C(C(=O)NC1=CC(=C(C=C1)C(=O)O)O)NC(=O)CI

InChI

InChI=1S/C14H17IN2O5/c1-7(2)12(17-11(19)6-15)13(20)16-8-3-4-9(14(21)22)10(18)5-8/h3-5,7,12,18H,6H2,1-2H3,(H,16,20)(H,17,19)(H,21,22)