Molecule ID: 11535056

IUPAC Name: methyl (2R)-2-[[(2R)-2-(3,5-dichloro-4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-2-(4-hydroxy-3,5-diiodophenyl)acetate

Description: The molecule is a dipeptide comprising of phenylglycine derived residues linked by peptide bonds. It is a dipeptide, a dichlorobenzene, an organoiodine compound, a methyl ester, a carbamate ester and a polyphenol.

SMILES: COC(=O)[C@H](N=C(O)[C@H](N=C(O)OC(C)(C)C)c1cc(Cl)c(O)c(Cl)c1)c1cc(I)c(O)c(I)c1

SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][Branch2][N][=C][Branch1][C][O][C@H1][Branch1][#C][N][=C][Branch1][C][O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][=C][C][Branch1][C][I][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][=Branch2]

InChI: InChI=1S/C22H22Cl2I2N2O7/c1-22(2,3)35-21(33)28-15(9-5-11(23)17(29)12(24)6-9)19(31)27-16(20(32)34-4)10-7-13(25)18(30)14(26)8-10/h5-8,15-16,29-30H,1-4H3,(H,27,31)(H,28,33)/t15-,16-/m1/s1

Molecular Properties:
- Polar Surface Area: 134.0 Ų
- LogP: 5.4