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FMoc-Arg (Tos) -OH

CAT: 0127-BUP19384Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-BUP19384Size:1 g
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CAS Number
83792-47-6
Purity
=98%
Smiles
Cc1ccc(cc1)S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O

Chemical Information

Fmoc-Arg(Tos)-OH
CAS Number83792-47-6
PubChem CID3010412
IUPAC Name(2S)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
Molecular FormulaC28H30N4O6S
Molecular Weight550.6
XLogP3.7
Topological Polar Surface Area169
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count39
Formal Charge0
Complexity953
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)N
InChI
InChI=1S/C28H30N4O6S/c1-18-12-14-19(15-13-18)39(36,37)32-27(29)30-16-6-11-25(26(33)34)31-28(35)38-17-24-22-9-4-2-7-20(22)21-8-3-5-10-23(21)24/h2-5,7-10,12-15,24-25H,6,11,16-17H2,1H3,(H,31,35)(H,33,34)(H3,29,30,32)/t25-/m0/s1
InChIKey
JRRARHJPRLAGNT-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Arg(Tos)-OH
CAS: 83792-47-6
CID: 3010412
Formula: C28H30N4O6S
MW: 550.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight550.6
XLogP33.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass550.18860586
Monoisotopic Mass550.18860586
Topological Polar Surface Area169 Ų
Heavy Atom Count39
Formal Charge0
Complexity953
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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