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

Systemtic Name: 3-[[1-[1-azanyl-3-(4-iodophenyl)-1-oxidanylidene-propan-2-yl]benzimidazol-2-yl]amino]propanoic acid Openeye Name: 3-[[1-[2-amino-1-[(4-iodophenyl)methyl]-2-oxo-ethyl]benzimidazol-2-yl]amino]propanoic acid CAS Name: 3-[[1-[1-amino-3-(4-iodophenyl)-1-oxopropan-2-yl]-2-benzimidazolyl]amino]propanoic acid IUPAC Name: 3-[[1-[1-amino-3-(4-iodophenyl)-1-oxopropan-2-yl]benzimidazol-2-yl]amino]propanoic acid Traditional Name: 3-[[1-[2-amino-1-(4-iodobenzyl)-2-keto-ethyl]benzimidazol-2-yl]amino]propionic acid Formula: C19H19IN4O3 MolecularWeight: 478.28363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19IN4O3/c20-13-7-5-12(6-8-13)11-16(18(21)27)24-15-4-2-1-3-14(15)23-19(24)22-10-9-17(25)26/h1-8,16H,9-11H2,(H2,21,27)(H,22,23)(H,25,26)