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Fmoc-Arg (Me, Pbf) -OH

CAT: 0127-OR1001622-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1001622-01Size:100 mg
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CAS Number
1135616-49-7
Purity
97%
Smiles
O=S(N/C(NC)=N/CCC[C@@H](C(O)=O)NC(OCC1C2=CC=CC=C2C3=CC=CC=C31)=O)(C4=C(C)C(C)=C(OC(C)(C5)C)C5=C4C)=O

Chemical Information

Fmoc-Arg(Me,pbf)-OH
CAS Number1135616-49-7
PubChem CID71463661
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[N'-methyl-N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoic acid
Molecular FormulaC35H42N4O7S
Molecular Weight662.8
XLogP5.6
Topological Polar Surface Area164
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count47
Formal Charge0
Complexity1230
SMILES
CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NC)NCCC[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C
InChI
InChI=1S/C35H42N4O7S/c1-20-21(2)31(22(3)27-18-35(4,5)46-30(20)27)47(43,44)39-33(36-6)37-17-11-16-29(32(40)41)38-34(42)45-19-28-25-14-9-7-12-23(25)24-13-8-10-15-26(24)28/h7-10,12-15,28-29H,11,16-19H2,1-6H3,(H,38,42)(H,40,41)(H2,36,37,39)/t29-/m0/s1
InChIKey
JAUPJPAADXVUGQ-LJAQVGFWSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Arg(Me,pbf)-OH
CAS: 1135616-49-7
CID: 71463661
Formula: C35H42N4O7S
MW: 662.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight662.8
XLogP35.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass662.27742087
Monoisotopic Mass662.27742087
Topological Polar Surface Area164 Ų
Heavy Atom Count47
Formal Charge0
Complexity1230
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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