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Boc-Arg (Pbf) -OH 25g

CAT: 0628-A23254-25000Size: 25000 mgDry Ice: NoHazardous: No
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CAT#:0628-A23254-25000Size:25000 mg
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CAS Number
200124-22-7

Chemical Information

Boc-Arg(Pbf)-OH
CAS Number200124-22-7
PubChem CID11341472
IUPAC Name(2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Molecular FormulaC24H38N4O7S
Molecular Weight526.6
XLogP3
Topological Polar Surface Area178
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity939
SMILES
CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)N)C
InChI
InChI=1S/C24H38N4O7S/c1-13-14(2)19(15(3)16-12-24(7,8)34-18(13)16)36(32,33)28-21(25)26-11-9-10-17(20(29)30)27-22(31)35-23(4,5)6/h17H,9-12H2,1-8H3,(H,27,31)(H,29,30)(H3,25,26,28)/t17-/m0/s1
InChIKey
CVFXPOKENLGCID-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of Boc-Arg(Pbf)-OH
CAS: 200124-22-7
CID: 11341472
Formula: C24H38N4O7S
MW: 526.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight526.6
XLogP33
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass526.24612074
Monoisotopic Mass526.24612074
Topological Polar Surface Area178 Ų
Heavy Atom Count36
Formal Charge0
Complexity939
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