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Fmoc-Gln (Mtt) -OPfp

CAT: 0926-FF111312-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FF111312-01Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
200623-39-8
MDL Number
MFCD00237165
Smiles
CC1=CC=C (C=C1) C (C2=CC=CC=C2) (C3=CC=CC=C3) NC (=O) CC[C@@H] (C (=O) OC4=C (C (=C (C (=C4F) F) F) F) F) NC (=O) OCC5C6=CC=CC=C6C7=CC=CC=C57
Molecular Formula
C46H35F5N2O5
Molecular Weight
790.77 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

CID 139211117
CAS Number200623-39-8
PubChem CID139211117
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[(4-methylphenyl)-diphenylmethyl]amino]-5-oxopentanoate
Molecular FormulaC46H35F5N2O5
Molecular Weight790.8
XLogP9.7
Topological Polar Surface Area93.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Heavy Atom Count58
Formal Charge0
Complexity1320
SMILES
CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)CCC(C(=O)OC4=C(C(=C(C(=C4F)F)F)F)F)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
InChI
InChI=1S/C46H35F5N2O5/c1-27-20-22-30(23-21-27)46(28-12-4-2-5-13-28,29-14-6-3-7-15-29)53-37(54)25-24-36(44(55)58-43-41(50)39(48)38(47)40(49)42(43)51)52-45(56)57-26-35-33-18-10-8-16-31(33)32-17-9-11-19-34(32)35/h2-23,35-36H,24-26H2,1H3,(H,52,56)(H,53,54)
InChIKey
YFZQPGPJLPMSAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 139211117
CAS: 200623-39-8
CID: 139211117
Formula: C46H35F5N2O5
MW: 790.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight790.8
XLogP39.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Exact Mass790.24661303
Monoisotopic Mass790.24661303
Topological Polar Surface Area93.7 Ų
Heavy Atom Count58
Formal Charge0
Complexity1320
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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B-2215.0025Fmoc-Gln(Mtt)-OPfp
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B-2050.0001Fmoc-Gln(Mtt)-OH
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