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Boc-D-Arg (Pbf) -OH 5000mg

CAT: 0628-A23818-5000Size: 5000 mgDry Ice: NoHazardous: No
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CAT#:0628-A23818-5000Size:5000 mg
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CAS Number
186698-61-3

Chemical Information

N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(1,1-dimethylethoxy)carbonyl]-D-ornithine
CAS Number186698-61-3
PubChem CID16213160
IUPAC Name(2R)-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-/m1/s1
InChIKey
CVFXPOKENLGCID-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(1,1-dimethylethoxy)carbonyl]-D-ornithine
CAS: 186698-61-3
CID: 16213160
Formula: C24H38N4O7S
MW: 526.6
Interactive 3D Structure
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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