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Boc-ß-HoArg (Tos) -OH

CAT: 0127-OR1044304-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1044304-01Size:100 mg
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CAS Number
136271-81-3
MDL Number
MFCD03427576
Purity
95%
Smiles
O=C(O)C[C@@H](NC(OC(C)(C)C)=O)CCCNC(NS(=O)(C1=CC=C(C)C=C1)=O)=N

Chemical Information

Boc-L-beta-homoarginine(tos)
CAS Number136271-81-3
PubChem CID2761509
IUPAC Name(3S)-6-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Molecular FormulaC19H30N4O6S
Molecular Weight442.5
XLogP1.6
Topological Polar Surface Area169
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count30
Formal Charge0
Complexity704
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC[C@@H](CC(=O)O)NC(=O)OC(C)(C)C)N
InChI
InChI=1S/C19H30N4O6S/c1-13-7-9-15(10-8-13)30(27,28)23-17(20)21-11-5-6-14(12-16(24)25)22-18(26)29-19(2,3)4/h7-10,14H,5-6,11-12H2,1-4H3,(H,22,26)(H,24,25)(H3,20,21,23)/t14-/m0/s1
InChIKey
RYHLUZMBVLFVPG-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of Boc-L-beta-homoarginine(tos)
CAS: 136271-81-3
CID: 2761509
Formula: C19H30N4O6S
MW: 442.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.5
XLogP31.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass442.18860586
Monoisotopic Mass442.18860586
Topological Polar Surface Area169 Ų
Heavy Atom Count30
Formal Charge0
Complexity704
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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Alternative Products

CatalogName
T17119-01Tos-aminoxy-Boc-PEG4-Tos
HY-130523-01Tos-PEG5-Boc
HY-125534Tos-PEG9-Boc
HY-140365Tos-PEG13-Boc
HY-130534-01Tos-PEG2-Boc
2109-01Boc-His (Tos)
2125-01Boc-Arg (Tos)
5-05576Boc-Arg(Tos)-OH
HY-140376Boc-NH-PEG7-Tos
HY-133070-01Tos-PEG5-C2-Boc

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