Z-Glu-otbu dcha
PubChem CID
13474835
Structure
Molecular Formula
Synonyms
- 34897-61-5
- Z-GLU-OTBU DCHA
- Dicyclohexylamine (S)-4-(((benzyloxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoate
- Z-Glu-OtBu.DCHA
- POQMGEMMYVJQOK-ZOWNYOTGSA-N
Molecular Weight
518.7 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Component Compounds
Dates
- Create:2007-02-08
- Modify:2025-01-18
Chemical Structure Depiction
Conformer generation is disallowed since mixture or salt
SVG Image
IUPAC Condensed
Cbz-Glu-OtBu.DCHA
Sequence
E
IUPAC
N-benzoxycarbonyl-L-glutamic acid tert-butyl ester dicyclohexylamine
N-cyclohexylcyclohexanamine;(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C17H23NO6.C12H23N/c1-17(2,3)24-15(21)13(9-10-14(19)20)18-16(22)23-11-12-7-5-4-6-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20);11-13H,1-10H2/t13-;/m0./s1
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
POQMGEMMYVJQOK-ZOWNYOTGSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CC(C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C29H46N2O6
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- 34897-61-5
- Z-GLU-OTBU DCHA
- Dicyclohexylamine (S)-4-(((benzyloxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoate
- Z-Glu-OtBu.DCHA
- POQMGEMMYVJQOK-ZOWNYOTGSA-N
- C29H46N2O6
- MFCD00077017
- AKOS027327990
- FD21432
- GS-5437
- CS-0154598
- Z-L-GLUTAMIC ACID ALFA-TERTBUTYL ESTER DICYCLOHEXY
- Z-L-Glutamic acid alpha-T-butyl ester dicyclohexylammonium salt
- (4S)-4-{[(BENZYLOXY)CARBONYL]AMINO}-5-(TERT-BUTOXY)-5-OXOPENTANOIC ACID; DICHA
- dicyclohexylamine (S)-4-(benzyloxycarbonylamino)-5-tert-butoxy-5-oxopentanoate
- Dicyclohexylamine(S)-4-(((benzyloxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoate
- (4S)-4-{[(benzyloxy)carbonyl]amino}-5-(tert-butoxy)-5-oxopentanoic acid; N-cyclohexylcyclohexanamine
- N-alpha-BenZyloxycarbonyl-L-glutamic acid alpha-t-butyl ester dicyclohexylamine (CbZ-L-Glu-OtBu.DCHA)
- N-cyclohexylcyclohexanamine;(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
518.7 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
12
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
518.33558719 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
518.33558719 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
114 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
37
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
553
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
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
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Instrument Name
Bruker MultiRAM Stand Alone FT-Raman Spectrometer
Technique
FT-Raman
Source of Spectrum
Bio-Rad Laboratories, Inc.
Source of Sample
Alfa Aesar, Thermo Fisher Scientific
Catalog Number
H66564
Lot Number
81400932
Copyright
Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
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Same Connectivity Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- SpectraBaseN-CARBOXY-L-GLUTAMIC ACID, N-BENZYL 1-tert-BUTYL ESTER, COMPOUND WITH DICYCLOHEXYLAMINE (1:1)https://spectrabase.com/spectrum/9hemYIg5HqjN-Benzyloxycarbonyl-L-glutamic acid 1-tert-butyl ester dicyclohexylammonium salthttps://spectrabase.com/spectrum/3lsrdJGdF9zN-Benzyloxycarbonyl-L-glutamic acid 1-tert-butyl ester dicyclohexylammonium salthttps://spectrabase.com/spectrum/4E3SaBlaaQ2
- WikidataN-Benzylcarboxyglutamic acid 1-tert-butyl ester dicyclohexylamine salthttps://www.wikidata.org/wiki/Q72440878
- PubChem
- NCBI
CONTENTS