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Fmoc-Pen (Acm) -OH

CAT: 0121-4016442.0005Size: 5 gDry Ice: NoHazardous: No
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CAT#:0121-4016442.0005Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
201531-76-2
Specifications
B-1885.0005
Synonyms
Fmoc-β, β-dimethyl-Cys (Acm) -OH
Sequence
Fmoc-Pen (Acm) -OH
Molecular Formula
C₂₃H₂₆N₂O₅S
Molecular Weight
442.54
Shipping Conditions
Ambient Temperature
Storage Temperature
Room temperature

Chemical Information

3-((Acetamidomethyl)sulfanyl)-N-(((9H-fluoren-9-yl)methoxy)carbonyl)-L-valine
CAS Number201531-76-2
PubChem CID46737384
IUPAC Name(2R)-3-(acetamidomethylsulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
Molecular FormulaC23H26N2O5S
Molecular Weight442.5
XLogP3.4
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity648
SMILES
CC(=O)NCSC(C)(C)[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H26N2O5S/c1-14(26)24-13-31-23(2,3)20(21(27)28)25-22(29)30-12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-13H2,1-3H3,(H,24,26)(H,25,29)(H,27,28)/t20-/m1/s1
InChIKey
HJXCJYNKTHOYRD-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of 3-((Acetamidomethyl)sulfanyl)-N-(((9H-fluoren-9-yl)methoxy)carbonyl)-L-valine
CAS: 201531-76-2
CID: 46737384
Formula: C23H26N2O5S
MW: 442.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.5
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass442.15624311
Monoisotopic Mass442.15624311
Topological Polar Surface Area130 Ų
Heavy Atom Count31
Formal Charge0
Complexity648
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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