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Fmoc-β-homo-Arg(Pbf)-OH

CAT: 0607-A6705-5000Size: 5 gDry Ice: NoHazardous: No
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CAT#:0607-A6705-5000Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
401915-53-5
Product Name Alternative
2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-6-(3-((2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl)guanidino)hexanoic acid
Purity
0.9896
Smiles
CC1=C2C(CC(C)(C)O2)=C(C)C(S(=O)(NC(NCCCCC(NC(OCC3C4=CC=CC=C4C5=CC=CC=C35)=O)C(O)=O)=N)=O)=C1C
Molecular Formula
C35H42N4O7S
Molecular Weight
662.8
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

N-alpha-Fmoc-N-omega-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzo[b]furan-5-ylsulfonyl)-L-beta-homoarginine
CAS Number401915-53-5
PubChem CID2761510
IUPAC Name(3S)-6-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
Molecular FormulaC35H42N4O7S
Molecular Weight662.8
XLogP5
Topological Polar Surface Area178
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(=NCCC[C@@H](CC(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C
InChI
InChI=1S/C35H42N4O7S/c1-20-21(2)32(22(3)28-18-35(4,5)46-31(20)28)47(43,44)39-33(36)37-16-10-11-23(17-30(40)41)38-34(42)45-19-29-26-14-8-6-12-24(26)25-13-7-9-15-27(25)29/h6-9,12-15,23,29H,10-11,16-19H2,1-5H3,(H,38,42)(H,40,41)(H3,36,37,39)/t23-/m0/s1
InChIKey
SPUZTADXOCHTJW-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of N-alpha-Fmoc-N-omega-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzo[b]furan-5-ylsulfonyl)-L-beta-homoarginine
CAS: 401915-53-5
CID: 2761510
Formula: C35H42N4O7S
MW: 662.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight662.8
XLogP35
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass662.27742087
Monoisotopic Mass662.27742087
Topological Polar Surface Area178 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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