Fmoc-Thr(tBu)-OH
PubChem CID
6364643
Structure
Molecular Formula
Synonyms
- Fmoc-Thr(tBu)-OH
- 71989-35-0
- Fmoc-O-tert-butyl-L-threonine
- Fmoc-Thr(t-Bu)-OH
- N-(9-Fluorenylmethoxycarbonyl)-O-tert-butyl-L-threonine
Molecular Weight
397.5 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-07-19
- Modify:2025-01-25
Chemical Structure Depiction
SVG Image
IUPAC Condensed
Fmoc-Thr(tBu)-OH
Sequence
X
HELM
PEPTIDE1{[fmoc].[*N[C@@H]([C@@H](C)OC(C)(C)C)C(=O)O |$_R1;;;;;;;;;;;;$|]}$$$$
IUPAC
N-(fluorenylmethoxycarbonyl)-O3-tert-butyl-L-threonine
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C23H27NO5/c1-14(29-23(2,3)4)20(21(25)26)24-22(27)28-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,13H2,1-4H3,(H,24,27)(H,25,26)/t14-,20+/m1/s1
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
LZOLWEQBVPVDPR-VLIAUNLRSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(C)(C)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C23H27NO5
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- Fmoc-Thr(tBu)-OH
- 71989-35-0
- Fmoc-O-tert-butyl-L-threonine
- Fmoc-Thr(t-Bu)-OH
- N-(9-Fluorenylmethoxycarbonyl)-O-tert-butyl-L-threonine
- MFCD00077075
- (2S,3R)-2-(((9-Fluorenylmethoxy)carbonyl)amino)-3-(tert-butoxy)butanoic acid
- N-(((9H-fluoren-9-yl)methoxy)carbonyl)-O-(tert-butyl)-L-threonine
- (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
- (2S,3R)-3-(tert-butoxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid
- N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylthreonine
- (2S,3R)-3-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid
- Fmoc-L-Thr(tBu)-OH
- Fmoc-Thr(OtBu)-OH
- XTY3TR2GB4
- 9-FLUORENYLMETHOXYCARBONYL-O-T-BUTYL-L-THEONINE
- SCHEMBL1738651
- DTXSID501218229
- Nalpha-Fmoc-O-tert-butyl-L-threonine
- O-tert-Butyl-Nalpha-Fmoc-L-threonine
- (2S,3R)-3-tert-Butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
- AKOS015840843
- L-Threonine, O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
- CS-W007706
- HY-W007706
- AS-14178
- DB-029842
- F0505
- Fmoc-Thr(tBu)-OH, >=98.0% (HPLC)
- EN300-249917
- M03389
- N-alpha-(9-Fluorenylmethyloxycarbonyl)-O-t-butyl-L-threonine
- Nalpha-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-tert-butyl-L-threonine
- O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonine
- (2S,3R)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-tert-butoxybutanoic acid
- (2S,3R)-3-tert-Butoxy-2-[[[[9H-fluoren-9-yl]methoxy]carbonyl]amino)butanoic acid
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
397.5 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
4
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
397.18892296 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
397.18892296 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
84.9 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
29
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
564
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
2
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Source of Sample
Fluka AG, Buchs, Switzerland
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Instrument Name
Bruker MultiRAM Stand Alone FT-Raman Spectrometer
Technique
FT-Raman
Source of Spectrum
Bio-Rad Laboratories, Inc.
Source of Sample
TCI Chemicals India Pvt. Ltd.
Catalog Number
F0505
Lot Number
FGN01-QBSE
Copyright
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Stereo Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Stereo Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
N-((9H-fluoren-9-ylmethoxy)carbonyl)-O-isopropyl-L-threonine (annotation moved to)
New Zealand EPA Inventory of Chemical Status
L-Threonine, O-(1,1-dimethylethyl)-N-(9H-fluoren-9-ylmethoxy)carbonyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=LZOLWEQBVPVDPR-VLIAUNLRSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylthreoninehttps://commonchemistry.cas.org/detail?cas_rn=71989-35-0
- EPA DSSToxN-(9-Fluorenylmethoxycarbonyl)-O-tert-butylthreoninehttps://comptox.epa.gov/dashboard/DTXSID501218229CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingFmoc-L-Thr(tBu)-OHhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/XTY3TR2GB4
- New Zealand Environmental Protection Authority (EPA)LICENSEThis work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.https://www.epa.govt.nz/about-this-site/general-copyright-statement/L-Threonine, O-(1,1-dimethylethyl)-N-(9H-fluoren-9-ylmethoxy)carbonyl-https://www.epa.govt.nz/industry-areas/hazardous-substances/guidance-for-importers-and-manufacturers/hazardous-substances-databases/
- Japan Chemical Substance Dictionary (Nikkaji)
- Nature Chemistry
- SpectraBaseL-3-tert-BUTOXY-2-(CARBOXYAMINO)BUTYRIC ACID, N-[(FLUOREN-9-YL)-METHYL ESTERhttps://spectrabase.com/spectrum/HCislIHrSusNα-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-tert-butyl-L-threoninehttps://spectrabase.com/spectrum/LQJSqQf9TA6Nα-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-tert-butyl-L-threoninehttps://spectrabase.com/spectrum/Fjx99j7ouEUNα-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-tert-butyl-L-threoninehttps://spectrabase.com/spectrum/GEdVOVdBPoIFmoc-Thr(tBu)-OHhttps://spectrabase.com/spectrum/4VybRzuFb2o
- Springer Nature
- Wikidata(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acidhttps://www.wikidata.org/wiki/Q76324350
- PubChem
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403633345https://pubchem.ncbi.nlm.nih.gov/substance/403633345
CONTENTS