Boc-L-isoleucine N-hydroxysuccinimide ester
Basic information
- CAS
3392-08-3- Standard SMILES
CCC(C)C(NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O- InChIKey
FATJLEZSGFVHQA-UHFFFAOYSA-N- Molecular formula
- C15H24N2O6
- Average molar mass
- 328.36 g/mol
- Monoisotopic mass
- 328.16343649
Names & identifiers
- Preferred name
- Boc-L-isoleucine N-hydroxysuccinimide ester
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
- English name
- Boc-Ile-OSu
- Molecular formula
- C15H24N2O6
- Molecular weight
- 328.36
Names & synonyms
Boc-Ile-OSu3392-08-3Boc-L-isoleucine N-hydroxysuccinimide esterBoc-L-isoleucine hydroxysuccinimide ester(2,5-dioxopyrrolidin-1-yl) 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoateSCHEMBL5696168(2,5-Dioxopyrrolidin-1-yl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoateEINECS 222-231-8AKOS015842737NSC 334339LS-14446DB-048525
Show more names
(2,5-dioxopyrrolidin-1-yl) (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoateBoc-L-Ile-OSuBOC-ISOLEUCINE-OSUBOC-L-ISOLEUCINE-OSU(Tert-Butoxy)Carbonyl Ile-OsuBOC-L-ISOLEUCINE HYDROXYSUCCINIMIDESTERN-Boc-L-isoleucine N-succinimidyl ester
NS00048632Succinimido N-(tert-butoxycarbonyl)isoleucinate(2,5-dioxopyrrolidin-1-yl) 2-(tert-butoxycarbonylamino)-3-methyl-pentanoate
Database identifiers
- CAS
3392-08-3- PubChem CID
- 100121
- EC Number
- 222-231-8
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Melting point
- 103 · 103-108 °C
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Powder
- pka
- 10.81 · 10.81±0.46(Predicted)
- color
- White
- InChI
- InChI=1S/C15H24N2O6/c1-6-9(2)12(16-14(21)22-15(3,4)5)13(20)23-17-10(18)7-8-11(17)19/h9,12H,6-8H2,1-5H3,(H,16,21)/t9-,12-/m0/s1
- InChIKey
- FATJLEZSGFVHQA-CABZTGNLSA-N
- SMILES
- C(ON1C(=O)CCC1=O)(=O)[C@H]([C@@H](C)CC)NC(OC(C)(C)C)=O
- CAS DataBase Reference
- 3392 · 3392-08-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- WGK Germany
- 3 · 3
- F
- 3 · 3-10-21
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 3-10-21
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesBoc-Ile-OSu is used in preparation of Dipeptide Piperidine derivatives for treating or preventing a disease associated with arginase activity.
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Compound notes
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