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Fmoc-Arg (Pbf) -OPfp

CAT: 0127-BIBA1006Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
200132-16-7
MDL Number
MFCD00237040
Smiles
Cc1c(C)c(c(C)c2CC(C)(C)Oc12)S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OCC3c4ccccc4c5ccccc35)C(=O)Oc6c(F)c(F)c(F)c(F)c6F
Additionnal Information
Store at -20°C
Storage Conditions
Store at -20°C

Chemical Information

Pentafluorophenyl (E)-N~5~-{amino[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-sulfonyl)amino]methylidene}-N~2~-{[(9H-fluoren-9-yl)methoxy]carbonyl}-L-ornithinate
CAS Number200132-16-7
PubChem CID45382189
IUPAC Name(2,3,4,5,6-pentafluorophenyl) (2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
Molecular FormulaC40H39F5N4O7S
Molecular Weight814.8
XLogP7.5
Topological Polar Surface Area167
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count14
Heavy Atom Count57
Formal Charge0
Complexity1530
SMILES
CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)N)C
InChI
InChI=1S/C40H39F5N4O7S/c1-19-20(2)36(21(3)26-17-40(4,5)56-34(19)26)57(52,53)49-38(46)47-16-10-15-28(37(50)55-35-32(44)30(42)29(41)31(43)33(35)45)48-39(51)54-18-27-24-13-8-6-11-22(24)23-12-7-9-14-25(23)27/h6-9,11-14,27-28H,10,15-18H2,1-5H3,(H,48,51)(H3,46,47,49)/t28-/m0/s1
InChIKey
SKUZYOYASRPHMO-NDEPHWFRSA-N
Chemical Structure
2D Structure
2D structure of Pentafluorophenyl (E)-N~5~-{amino[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-sulfonyl)amino]methylidene}-N~2~-{[(9H-fluoren-9-yl)methoxy]carbonyl}-L-ornithinate
CAS: 200132-16-7
CID: 45382189
Formula: C40H39F5N4O7S
MW: 814.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight814.8
XLogP37.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count14
Exact Mass814.24596158
Monoisotopic Mass814.24596158
Topological Polar Surface Area167 Ų
Heavy Atom Count57
Formal Charge0
Complexity1530
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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