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Boc-Lys (ivdde) -OH

CAT: 0804-HY-W562116-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W562116-01Size:250 mg
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Description
Boc-Lys (ivdde) -OH is a derivative of amino acid. Boc-Lys (ivdde) -OH can be used for synthesis of lysine containing peptide[1].
CAS Number
862847-44-7
UNSPSC
12352209
Hazard Statement
H302-H315-H319-H335
Target
Amino Acid Derivatives
Type
Peptides
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/boc-lys-ivdde-oh.html
Smiles
CC(C)(C)OC(N[C@H](C(O)=O)CCCCN/C(CC(C)C)=C1C(CC(C)(CC/1=O)C)=O)=O
Molecular Formula
C24H40N2O6
Molecular Weight
452.58
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Augustyns K, et al., Investigation on the stability of the Dde protecting group used in peptide synthesis: migration to an unprotected lysine. J Pept Res. 1998 Feb;51 (2) :127-33.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Boc-l-lys(ivdde)-oh
CAS Number862847-44-7
PubChem CID136908401
IUPAC Name(2S)-6-[[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-methylbutylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Molecular FormulaC24H40N2O6
Molecular Weight452.6
XLogP3.8
Topological Polar Surface Area125
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count32
Formal Charge0
Complexity759
SMILES
CC(C)CC(=NCCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)C1=C(CC(CC1=O)(C)C)O
InChI
InChI=1S/C24H40N2O6/c1-15(2)12-17(20-18(27)13-24(6,7)14-19(20)28)25-11-9-8-10-16(21(29)30)26-22(31)32-23(3,4)5/h15-16,27H,8-14H2,1-7H3,(H,26,31)(H,29,30)/t16-/m0/s1
InChIKey
IOJNRXWJRREUMO-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Boc-l-lys(ivdde)-oh
CAS: 862847-44-7
CID: 136908401
Formula: C24H40N2O6
MW: 452.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight452.6
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass452.28863700
Monoisotopic Mass452.28863700
Topological Polar Surface Area125 Ų
Heavy Atom Count32
Formal Charge0
Complexity759
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes