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(Fmoc-Cys-OSu)2

CAT: 0572-TRC-F657730-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F657730-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112514-60-0
Synonyms
(3R,8R)-3,8-bis[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-12-(9H-fluoren-9-yl)-10-oxo-11-Oxa-5,6-dithia-2,9-diazadodecanoic acid 9H-fluoren-9-ylmethyl ester; (5R,10R)-5,10-bis[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-1-(9H-fluoren-9-yl)-3-oxo-2-Oxa-7,8-dithia-4,11-diazadodecan-12-oic acid 9H-fluoren-9-ylmethyl; [R-(R*,R*)]-5,10-bis[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-1-(9H-fluoren-9-yl)-3-oxo-2-Oxa-7,8-dithia-4,11-diazadodecan-12-oic acid 9H-fluoren-9-ylmethyl ester
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
O=C(N[C@@H](CSSC[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)ON4C(=O)CCC4=O)C(=O)ON5C(=O)CCC5=O)OCC6c7ccccc7c8ccccc68
Molecular Formula
C44 H38 N4 O12 S2
Molecular Weight
878.92
InChI
InChI=1S/C44H38N4O12S2/c49-37-17-18-38(50)47(37)59-41(53)35(45-43(55)57-21-33-29-13-5-1-9-25(29)26-10-2-6-14-30(26)33)23-61-62-24-36(42(54)60-48-39(51)19-20-40(48)52)46-44(56)58-22-34-31-15-7-3-11-27(31)28-12-4-8-16-32(28)34/h1-16,33-36H,17-24H2,(H,45,55)(H,46,56)/t35-,36-/m0/s1
Additionnal Information
IUPAC name: (2,5-dioxopyrrolidin-1-yl) (2R)-3-[[(2R)-3-(2,5-dioxopyrrolidin-1-yl)oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-propyl]disulfanyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(Fmoc-Cys-OSu)2
CAS Number112514-60-0
PubChem CID91886225
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2R)-3-[[(2R)-3-(2,5-dioxopyrrolidin-1-yl)oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropyl]disulfanyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
Molecular FormulaC44H38N4O12S2
Molecular Weight878.9
XLogP4.7
Topological Polar Surface Area255
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count19
Heavy Atom Count62
Formal Charge0
Complexity1540
SMILES
C1CC(=O)N(C1=O)OC(=O)[C@H](CSSC[C@@H](C(=O)ON2C(=O)CCC2=O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68
InChI
InChI=1S/C44H38N4O12S2/c49-37-17-18-38(50)47(37)59-41(53)35(45-43(55)57-21-33-29-13-5-1-9-25(29)26-10-2-6-14-30(26)33)23-61-62-24-36(42(54)60-48-39(51)19-20-40(48)52)46-44(56)58-22-34-31-15-7-3-11-27(31)28-12-4-8-16-32(28)34/h1-16,33-36H,17-24H2,(H,45,55)(H,46,56)/t35-,36-/m0/s1
InChIKey
FWRWVOZABQSEGS-ZPGRZCPFSA-N
Chemical Structure
2D Structure
2D structure of (Fmoc-Cys-OSu)2
CAS: 112514-60-0
CID: 91886225
Formula: C44H38N4O12S2
MW: 878.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight878.9
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count19
Exact Mass878.19276501
Monoisotopic Mass878.19276501
Topological Polar Surface Area255 Ų
Heavy Atom Count62
Formal Charge0
Complexity1540
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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