3-[[1-[1-azanyl-3-(3-iodanyl-4-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl]benzimidazol-2-yl]amino]propanoic acid

Systemtic Name: 3-[[1-[1-azanyl-3-(3-iodanyl-4-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl]benzimidazol-2-yl]amino]propanoic acid Openeye Name: 3-[[1-[2-amino-1-[(4-hydroxy-3-iodo-phenyl)methyl]-2-oxo-ethyl]benzimidazol-2-yl]amino]propanoic acid CAS Name: 3-[[1-[1-amino-3-(4-hydroxy-3-iodophenyl)-1-oxopropan-2-yl]-2-benzimidazolyl]amino]propanoic acid IUPAC Name: 3-[[1-[1-amino-3-(4-hydroxy-3-iodophenyl)-1-oxopropan-2-yl]benzimidazol-2-yl]amino]propanoic acid Traditional Name: 3-[[1-[2-amino-1-(4-hydroxy-3-iodo-benzyl)-2-keto-ethyl]benzimidazol-2-yl]amino]propionic acid Formula: C19H19IN4O4 MolecularWeight: 494.28303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2C(CC3=CC(=C(C=C3)O)I)C(=O)N)NCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2C(CC3=CC(=C(C=C3)O)I)C(=O)N)NCCC(=O)O

InChI

InChI=1S/C19H19IN4O4/c20-12-9-11(5-6-16(12)25)10-15(18(21)28)24-14-4-2-1-3-13(14)23-19(24)22-8-7-17(26)27/h1-6,9,15,25H,7-8,10H2,(H2,21,28)(H,22,23)(H,26,27)