tertiary-Butyloxycarbonyl-L-iodotyrosine-N-hydroxysuccininimide ester
Basic information
- CAS
79028-57-2- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)ON1C(=O)CCC1=O- InChIKey
ZSHWOTBCGGDEQO-LBPRGKRZSA-N- Molecular formula
- C18H21IN2O7
- Average molar mass
- 504.3 g/mol
- Monoisotopic mass
- 504.03935
Names & identifiers
- Preferred name
- tertiary-Butyloxycarbonyl-L-iodotyrosine-N-hydroxysuccininimide ester
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) (2S)-3-(4-hydroxy-3-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
- English name
- tertiary-butyloxycarbonyl-L-iodotyrosine-N-hydroxysuccininimide ester
- Molecular formula
- C18H21IN2O7
- Molecular weight
- 504.27301
Names & synonyms
Boc-itry-nhse79028-57-2tertiary-Butyloxycarbonyl-L-iodotyrosine-N-hydroxysuccininimide esterCarbamic acid, (2-((2,5-dioxo-1-pyrrolidinyl)oxy)-1-((4-hydroxy-3-iodophenyl)methyl)-2-oxoethyl)-, 1,1-dimethylethyl ester, (S)-RefChem:188309DTXSID6010002052,5-Dioxopyrrolidin-1-yl N-[tert-butoxy(hydroxy)methylidene]-3-iodo-L-tyrosinate2,5-Dioxopyrrolidin-1-yl N-[tert-butoxy(hydroxy)methylidene]-3-iodotyrosinate
Database identifiers
- CAS
79028-57-2- PubChem CID
- 133154
- DTXSID
DTXSID601000205
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 618
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Compound notes
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