5-Cyclohexyl hydrogen N-((1,1-dimethylethoxy)carbonyl)-L-glutamate
PubChem CID
7017890
Structure
Chemical Safety
Molecular Formula
Synonyms
- Boc-Glu(OcHex)-OH
- 73821-97-3
- Boc-Glu(OcHx)-OH
- Boc-L-glutamic acid 5-cyclohexyl ester
- (2S)-5-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
Molecular Weight
329.39 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2006-07-29
- Modify:2024-12-28
Chemical Structure Depiction
SVG Image
IUPAC Condensed
Boc-Glu(OcHex)(OcHex)-OH
Sequence
X
HELM
PEPTIDE1{[CC(C)(C)OC(=O)N[C@@H](CCC(=O)OC1CCCCC1)C(=O)O]}$$$$
(2S)-5-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C16H27NO6/c1-16(2,3)23-15(21)17-12(14(19)20)9-10-13(18)22-11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,17,21)(H,19,20)/t12-/m0/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
FDNMLANBNJDIRG-LBPRGKRZSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC(C)(C)OC(=O)N[C@@H](CCC(=O)OC1CCCCC1)C(=O)O
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C16H27NO6
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- Boc-Glu(OcHex)-OH
- 73821-97-3
- Boc-Glu(OcHx)-OH
- Boc-L-glutamic acid 5-cyclohexyl ester
- (2S)-5-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
- N-Boc-L-glutamic Acid 5-Cyclohexyl Ester
- 5-Cyclohexyl hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate
- MFCD00065570
- (S)-2-((tert-Butoxycarbonyl)amino)-5-(cyclohexyloxy)-5-oxopentanoic acid
- 5-Cyclohexyl hydrogen N-((1,1-dimethylethoxy)carbonyl)-L-glutamate
- 5-Cyclohexyl N-Boc-L-glutamate
- SCHEMBL19296747
- N-(tert-Butoxycarbonyl)-L-glutamic Acid 5-Cyclohexyl Ester
- DTXSID501165402
- (2S)-2-[(tert-butoxycarbonyl)amino]-5-(cyclohexyloxy)-5-oxopentanoic acid
- AKOS015892687
- AKOS015924144
- CS-W013936
- FD21379
- HY-W013220
- DS-13749
- B2179
- M03283
- 5-Cyclohexyl N-(tert-Butoxycarbonyl)-L-glutamate
- (S)-2-(tert-butoxycarbonylamino)-5-(cyclohexyloxy)-5-oxopentanoic acid
- (2S)-2-[(tert-Butoxycarbonyl)amino]-5-(cyclohexyloxy)-5-oxopentanoic acid, AldrichCPR
- N-alpha-t-Butyloxycarbonyl-L-glutamic acid gamma-cyclohexylester (Boc-L-Glu(OcHex)-OH)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
329.39 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
2.5
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
9
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
329.18383758 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
329.18383758 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
102Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
23
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
423
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
1
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)
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Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
Not Classified
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=FDNMLANBNJDIRG-LBPRGKRZSA-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/4.0/5-Cyclohexyl hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamatehttps://commonchemistry.cas.org/detail?cas_rn=73821-97-3
- EPA DSSTox5-Cyclohexyl hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamatehttps://comptox.epa.gov/dashboard/DTXSID501165402
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-noticeL-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 5-cyclohexyl esterhttps://echa.europa.eu/substance-information/-/substanceinfo/100.114.512L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 5-cyclohexyl ester (EC: 616-021-9)https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/40593
- Japan Chemical Substance Dictionary (Nikkaji)
- Springer Nature
- 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 388995783https://pubchem.ncbi.nlm.nih.gov/substance/388995783
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