Basic information
- Standard SMILES
COC(=O)[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)NC(=O)CNC(=O)CNC(=O)OCc1ccccc1- InChIKey
YTRNBZAVRPWUBD-QFIPXVFZSA-N- Molecular formula
- C28H25I4N3O8
- Average molar mass
- 1,039.1 g/mol
- Monoisotopic mass
- 1,038.7821
Names & identifiers
- Preferred name
- N-carbobenzoxyglycylglycylthyroxine methyl ester
- IUPAC
- methyl (2S)-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoate
Names & synonyms
SCHEMBL9705395YTRNBZAVRPWUBD-QFIPXVFZSA-NN-carbobenzoxyglycylglycylthyroxine methyl ester
Database identifiers
- PubChem CID
- 54526792
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 920
Related reactions
2 records
Compound notes
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