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Cbz-TRIS-OtBu

CAT: 0931-TYD-03167-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-03167-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
200133-20-6
Target
Others, DNA/RNA Synthesis
Related Pathways
DNA Damage/DNA Repair, Others, Cell Cycle/Checkpoint
Bioactivity
Cbz-TRIS-OtBu is a significant compound used in the organic synthesis of peptides, nucleic acids, and other substances.
Smiles
O=C(OCC=1C=CC=CC1)NC(COCCC(=O)OC(C)(C)C)(COCCC(=O)OC(C)(C)C)COCCC(=O)OC(C)(C)C
Molecular Formula
C33H53NO11
Molecular Weight
639.77
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

di-tert-Butyl3,3'-[[2-[[(Benzyloxy)carbonyl]amino]-2-[[3-(tert-butoxy)-3-oxopropoxy]methyl]propane-1,3-diyl]bis(oxy)]dipropanoate
CAS Number200133-20-6
PubChem CID21606754
IUPAC Nametert-butyl 3-[3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]methyl]-2-(phenylmethoxycarbonylamino)propoxy]propanoate
Molecular FormulaC33H53NO11
Molecular Weight639.8
XLogP3.3
Topological Polar Surface Area145
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count25
Heavy Atom Count45
Formal Charge0
Complexity821
SMILES
CC(C)(C)OC(=O)CCOCC(COCCC(=O)OC(C)(C)C)(COCCC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C33H53NO11/c1-30(2,3)43-26(35)15-18-39-22-33(23-40-19-16-27(36)44-31(4,5)6,24-41-20-17-28(37)45-32(7,8)9)34-29(38)42-21-25-13-11-10-12-14-25/h10-14H,15-24H2,1-9H3,(H,34,38)
InChIKey
MJBXXROMAURCNR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of di-tert-Butyl3,3'-[[2-[[(Benzyloxy)carbonyl]amino]-2-[[3-(tert-butoxy)-3-oxopropoxy]methyl]propane-1,3-diyl]bis(oxy)]dipropanoate
CAS: 200133-20-6
CID: 21606754
Formula: C33H53NO11
MW: 639.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight639.8
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count25
Exact Mass639.36186151
Monoisotopic Mass639.36186151
Topological Polar Surface Area145 Ų
Heavy Atom Count45
Formal Charge0
Complexity821
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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