methyl (2S)-3-(3-iodanyl-4-oxidanyl-phenyl)-2-[2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-(3-iodanyl-4-oxidanyl-phenyl)-2-[2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanoylamino]propanoate Openeye Name: methyl (2S)-3-(4-hydroxy-3-iodanyl-phenyl)-2-[[2-[6-methyl-2-(p-tolyl)imidazo[1,2-a]pyridin-3-yl]acetyl]amino]propanoate CAS Name: (2S)-3-(4-hydroxy-3-iodanylphenyl)-2-[[2-[6-methyl-2-(4-methylphenyl)-3-imidazo[1,2-a]pyridinyl]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-hydroxy-3-iodanylphenyl)-2-[[2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]amino]propanoate Traditional Name: (2S)-3-(4-hydroxy-3-iodanyl-phenyl)-2-[[2-[6-methyl-2-(p-tolyl)imidazo[1,2-a]pyridin-3-yl]acetyl]amino]propionic acid methyl ester Formula: C27H26IN3O4 MolecularWeight: 581.417664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)NC(CC4=CC(=C(C=C4)O)I)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N[C@@H](CC4=CC(=C(C=C4)O)[125I])C(=O)OC

InChI

InChI=1S/C27H26IN3O4/c1-16-4-8-19(9-5-16)26-22(31-15-17(2)6-11-24(31)30-26)14-25(33)29-21(27(34)35-3)13-18-7-10-23(32)20(28)12-18/h4-12,15,21,32H,13-14H2,1-3H3,(H,29,33)/t21-/m0/s1/i28-2