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Fmoc-D-Ala (Bth) -OH

CAT: 0804-HY-W729010Size: 1 EachDry Ice: NoHazardous: No
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Description
Fmoc-D-Ala (Bth) -OH is an amino acid. Fmoc-D-Ala (Bth) -OH can be used in the synthesis of peptides[1].
CAS Number
1263047-16-0
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
OC([C@@H](CC1=NC2=CC=CC=C2S1)NC(OCC3C4=CC=CC=C4C5=CC=CC=C53)=O)=O
Molecular Formula
C25H20N2O4S
Molecular Weight
444.50
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Fmoc-D-ala(bth)-OH
CAS Number1263047-16-0
PubChem CID51340495
IUPAC Name(2R)-3-(1,3-benzothiazol-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Molecular FormulaC25H20N2O4S
Molecular Weight444.5
XLogP5.1
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity669
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=NC5=CC=CC=C5S4)C(=O)O
InChI
InChI=1S/C25H20N2O4S/c28-24(29)21(13-23-26-20-11-5-6-12-22(20)32-23)27-25(30)31-14-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-12,19,21H,13-14H2,(H,27,30)(H,28,29)/t21-/m1/s1
InChIKey
FOEQAVDISWFCSU-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-D-ala(bth)-OH
CAS: 1263047-16-0
CID: 51340495
Formula: C25H20N2O4S
MW: 444.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.5
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass444.11437830
Monoisotopic Mass444.11437830
Topological Polar Surface Area117 Ų
Heavy Atom Count32
Formal Charge0
Complexity669
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

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RM-F131558-01Fmoc-D-Ala-D-Ala-Oh
RM-F131559-01Fmoc-β-Ala-D-Ala-Oh
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