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(Fmoc-Cys-OtBu) ₂

CAT: 0121-4027211.0005Size: 5 gDry Ice: NoHazardous: No
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CAT#:0121-4027211.0005Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
139592-37-3
Specifications
B-3030.0005
Sequence
(Fmoc-Cys-OtBu) ₂
Molecular Formula
C₄₄H₄₈N₂O₈S₂
Molecular Weight
797.01
Shipping Conditions
Ambient Temperature
Storage Temperature
+5 ± 3 °C

Chemical Information

(Fmoc-Cys-OtBu)2
CAS Number139592-37-3
PubChem CID75487680
IUPAC Nametert-butyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]disulfanyl]propanoate
Molecular FormulaC44H48N2O8S2
Molecular Weight797.0
XLogP8.5
Topological Polar Surface Area180
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count19
Heavy Atom Count56
Formal Charge0
Complexity1210
SMILES
CC(C)(C)OC(=O)[C@H](CSSC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C44H48N2O8S2/c1-43(2,3)53-39(47)37(45-41(49)51-23-35-31-19-11-7-15-27(31)28-16-8-12-20-32(28)35)25-55-56-26-38(40(48)54-44(4,5)6)46-42(50)52-24-36-33-21-13-9-17-29(33)30-18-10-14-22-34(30)36/h7-22,35-38H,23-26H2,1-6H3,(H,45,49)(H,46,50)/t37-,38-/m0/s1
InChIKey
IQCNHOFZFYLKLF-UWXQCODUSA-N
Chemical Structure
2D Structure
2D structure of (Fmoc-Cys-OtBu)2
CAS: 139592-37-3
CID: 75487680
Formula: C44H48N2O8S2
MW: 797.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight797.0
XLogP38.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count19
Exact Mass796.28520884
Monoisotopic Mass796.28520884
Topological Polar Surface Area180 Ų
Heavy Atom Count56
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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