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Fmoc-Arg (Z) ₂-OH

CAT: 0121-4003522.0001Size: 1 gDry Ice: NoHazardous: No
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CAS Number
1094617-45-4
Specifications
B-3600.0001
Synonyms
Fmoc-δ, ω-Arg (Z) ₂-OH
Sequence
Fmoc-Arg (Z) ₂-OH
Molecular Formula
C₃₇H₃₆N₄O₈
Molecular Weight
664.72
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

CID 139211107
CAS Number1094617-45-4
PubChem CID139211107
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[phenylmethoxycarbonyl-(N-phenylmethoxycarbonylcarbamimidoyl)amino]pentanoic acid
Molecular FormulaC37H36N4O8
Molecular Weight664.7
XLogP6.7
Topological Polar Surface Area167
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Heavy Atom Count49
Formal Charge0
Complexity1100
SMILES
C1=CC=C(C=C1)COC(=O)NC(=N)N(CCCC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)OCC5=CC=CC=C5
InChI
InChI=1S/C37H36N4O8/c38-34(40-36(45)47-22-25-12-3-1-4-13-25)41(37(46)49-23-26-14-5-2-6-15-26)21-11-20-32(33(42)43)39-35(44)48-24-31-29-18-9-7-16-27(29)28-17-8-10-19-30(28)31/h1-10,12-19,31-32H,11,20-24H2,(H,39,44)(H,42,43)(H2,38,40,45)
InChIKey
PLFMYBVQTIUHOB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 139211107
CAS: 1094617-45-4
CID: 139211107
Formula: C37H36N4O8
MW: 664.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight664.7
XLogP36.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Exact Mass664.25331412
Monoisotopic Mass664.25331412
Topological Polar Surface Area167 Ų
Heavy Atom Count49
Formal Charge0
Complexity1100
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