3-[3-[(3-iodanylphenyl)methyl]imidazol-4-yl]-2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]propanoic acid

Systemtic Name: 3-[3-[(3-iodanylphenyl)methyl]imidazol-4-yl]-2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]propanoic acid Openeye Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-[3-[(3-iodophenyl)methyl]imidazol-4-yl]propanoic acid CAS Name: 3-[3-[(3-iodophenyl)methyl]-4-imidazolyl]-2-[(5-methyl-2-oxohexan-3-yl)amino]propanoic acid IUPAC Name: 3-[3-[(3-iodophenyl)methyl]imidazol-4-yl]-2-[(5-methyl-2-oxohexan-3-yl)amino]propanoic acid Traditional Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-[3-(3-iodobenzyl)imidazol-4-yl]propionic acid Formula: C20H26IN3O3 MolecularWeight: 483.34321

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C)NC(CC1=CN=CN1CC2=CC(=CC=C2)I)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)C)NC(CC1=CN=CN1CC2=CC(=CC=C2)I)C(=O)O

InChI

InChI=1S/C20H26IN3O3/c1-13(2)7-18(14(3)25)23-19(20(26)27)9-17-10-22-12-24(17)11-15-5-4-6-16(21)8-15/h4-6,8,10,12-13,18-19,23H,7,9,11H2,1-3H3,(H,26,27)