2-azanyl-4-[2-[2-(2-iodanyl-4-oxidanyl-phenyl)propanoylamino]ethanoylamino]-3-oxidanylidene-butanoic acid

Systemtic Name: 2-azanyl-4-[2-[2-(2-iodanyl-4-oxidanyl-phenyl)propanoylamino]ethanoylamino]-3-oxidanylidene-butanoic acid Openeye Name: 2-amino-4-[[2-[2-(4-hydroxy-2-iodo-phenyl)propanoylamino]acetyl]amino]-3-oxo-butanoic acid CAS Name: 2-amino-4-[[2-[[2-(4-hydroxy-2-iodophenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-3-oxobutanoic acid IUPAC Name: 2-amino-4-[[2-[2-(4-hydroxy-2-iodophenyl)propanoylamino]acetyl]amino]-3-oxobutanoic acid Traditional Name: 2-amino-4-[[2-[2-(4-hydroxy-2-iodo-phenyl)propanoylamino]acetyl]amino]-3-keto-butyric acid Formula: C15H18IN3O6 MolecularWeight: 463.22439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)O)I)C(=O)NCC(=O)NCC(=O)C(C(=O)O)N

Isomeric SMILES

CC(C1=C(C=C(C=C1)O)I)C(=O)NCC(=O)NCC(=O)C(C(=O)O)N

InChI

InChI=1S/C15H18IN3O6/c1-7(9-3-2-8(20)4-10(9)16)14(23)19-6-12(22)18-5-11(21)13(17)15(24)25/h2-4,7,13,20H,5-6,17H2,1H3,(H,18,22)(H,19,23)(H,24,25)