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BTL-104

CAT: 0013-GTR19202779-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202779-01Size:25 mg
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Description
BTL-104 is a monobiotinylated Phos-tag reagent designed for the specific enrichment and detection of phosphorylated peptides and proteins. It is widely applied in phosphoproteomics for both in vitro assays and the analysis of complex biological samples to study cellular signaling pathways.
CAS Number
753451-66-0
Smiles
C (CCCC (NCCNC (=O) C=1C=CC (CN (CC2=CC=CC=N2) CC (CN (CC3=CC=CC=N3) CC4=CC=CC=N4) O) =NC1) =O) [C@H]5[C@@]6 ([C@] (CS5) (NC (=O) N6) [H]) [H]
Molecular Formula
C40H50N10O4S
Molecular Weight
766.96
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 11996427
CAS Number753451-66-0
PubChem CID11996427
IUPAC NameN-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyl]-6-[[[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]-(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide
Molecular FormulaC40H50N10O4S
Molecular Weight767.0
XLogP0.7
Topological Polar Surface Area203
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count21
Heavy Atom Count55
Formal Charge0
Complexity1170
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCNC(=O)C3=CN=C(C=C3)CN(CC4=CC=CC=N4)CC(CN(CC5=CC=CC=N5)CC6=CC=CC=N6)O)NC(=O)N2
InChI
InChI=1S/C40H50N10O4S/c51-34(26-49(22-30-9-3-6-16-41-30)23-31-10-4-7-17-42-31)27-50(24-32-11-5-8-18-43-32)25-33-15-14-29(21-46-33)39(53)45-20-19-44-37(52)13-2-1-12-36-38-35(28-55-36)47-40(54)48-38/h3-11,14-18,21,34-36,38,51H,1-2,12-13,19-20,22-28H2,(H,44,52)(H,45,53)(H2,47,48,54)/t34?,35-,36-,38-/m0/s1
InChIKey
UDSBDKQVXFAEAK-PEJPBKHASA-N
Chemical Structure
2D Structure
2D structure of CID 11996427
CAS: 753451-66-0
CID: 11996427
Formula: C40H50N10O4S
MW: 767.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight767.0
XLogP30.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count21
Exact Mass766.37372129
Monoisotopic Mass766.37372129
Topological Polar Surface Area203 Ų
Heavy Atom Count55
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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