N(alpha)-boc-N(omega)-tosyl-L-arginine
Basic information
- CAS
13836-37-8- Standard SMILES
Cc1ccc(S(=O)(=O)NC(N)=NCCCC(NC(=O)OC(C)(C)C)C(=O)O)cc1- InChIKey
WBIIPXYJAMICNU-UHFFFAOYSA-N- Molecular formula
- C18H28N4O6S
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.1729558
Names & identifiers
- Preferred name
- N(alpha)-boc-N(omega)-tosyl-L-arginine
- IUPAC
- 5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
- English name
- Boc-Arg(Tos)-OH
- Molecular formula
- C18H28N4O6S
- Molecular weight
- 428.5
Names & synonyms
N(alpha)-boc-N(omega)-tosyl-L-arginine160347-92-2C18H28N4O6SNSC164058N-Boc-Nomega-tosyl-D-arginineBDR-2609BLR-2125AKOS015960781AKOS037643739NSC-164058Ornithine, N(2)-tert-butyl ester, L-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Show more names
BOC-ARG(TOS)BOC-AMINOACIDBOC-L-ARG(TOS)BOC-ARG(TOS)-OHBOC-L-ARG(TOS)-OHnyl]amino]methyl]-Boc-tosyl-ArginineBOC-L ARGININE (TOS)BOC-ARGININE(TOS)-OHNα-Boc-Nω-tosyl-L-ar
AS-35000ST510124382-((tert-Butoxycarbonyl)amino)-5-(3-tosylguanidino)pentanoic acidNALPHA-tert-Butoxycarbonyl-NOMEGA-(4-toluenesulfonyl)-D-arginine5-[[amino-(p-tolylsulfonylamino)methylene]amino]-2-(tert-butoxycarbonylamino)pentanoic acidL-Ornithine,1-dimethylethoxy)carbonyl]-N5-[imino[[(4-methylphenyl)sulfonyl]amino]methyl]-Ornithine, N(2)-carboxy-N(5)-[(p-tolylsulfonyl)amidino]-, N(2)-tert-butyl ester, L-2-[(tert-butoxy)carbonylamino]-5-[(imino{[(4-methylphenyl)sulfonyl]amino}methy l)amino]pentanoic acid
Database identifiers
- CAS
13836-37-8- PubChem CID
- 294909
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 688
Physicochemical properties
- Melting point
- 90 °C · ~90 °C (dec.)
- alpha
- -3.5 · -3.5 º (c=4% in DMF)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- 1 % · Soluble in water or 1% acetic acid
- pka
- 3.95 · 3.95±0.21(Predicted)
- form
- Powder
- color
- White to off-white
- optical activity
- 20 · [α]20/D 3.5±0.5°, c = 4% in DMF
- BRN
- 2683538 · 2683538
- Major Application
- peptide synthesis
- InChIKey
- WBIIPXYJAMICNU-AWEZNQCLSA-N
- SMILES
- Cc1ccc(cc1)S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)C(O)=O
- CAS DataBase Reference
- 13836 · 13836-37-8(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino[[(4-methylphenyl)sulfonyl]amino]methyl]- (13836-37-8)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2935 90 90
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P264b-P270-P301+P312-P330-P403-P501c
Chemistry & industry
Applications
UsesBoc-Arg(Tos)-OH, is an arginine derivative and a building block used in peptide chemistry.
General Descriptioncrystallized with ~10% (w/w) ethyl acetate
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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