| CAS Number | 108695-16-5 |
| Catalog Number | AG007C3K(AGN-PC-0OYSDC) |
| Chemical Name | Boc-n-me-arg(tos)-oh |
| IUPAC Name | (2S)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid |
| InChI | InChI=1S/C19H30N4O6S/c1-13-8-10-14(11-9-13)30(27,28)22-17(20)21-12-6-7-15(16(24)25)23(5)18(26)29-19(2,3)4/h8-11,15H,6-7,12H2,1-5H3,(H,24,25)(H3,20,21,22)/t15-/m0/s1 |
| InChI Key | OTYPUFUDTDVBRU-HNNXBMFYSA-N |
| MDL Number | MFCD00134858 |
| Molecular Formula | C19H30N4O6S |
| Molecular Weight | 442.5297 |
| SMILES | N=C(NS(=O)(=O)c1ccc(cc1)C)NCCC[C@H](N(C(=O)OC(C)(C)C)C)C(=O)O |
| Synonyms | Boc-N-Me-Arg(Tos)-OH,
108695-16-5,
Boc-MeArg(Tos),
Boc-Mearg(Tos)-OH,
CTK8E6099,
OTYPUFUDTDVBRU-HNNXBMFYSA-N,
MFCD00134858,
ZINC15721463,
AJ-67809,
AJ-67810,
AX8118339,
FT-0642661,
K-0615,
(S)-2-(tert-butoxycarbonyl(methyl)amino)-5-(3-tosylguanidino)pentanoic acid,
L-Ornithine,n2-[(1,1-dimethylethoxy)carbonyl]-n5-[imino[[(4-methylphenyl)sulfonyl]amino]methyl]-n2-methyl-,
CID11826363,
CID 11826363,
Nalpha-Boc-Nalpha-methyl-Nomega-4-toluenesulfonyl-L-arginine,
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| Complexity | 718 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 442.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 442.531g/mol |
| Monoisotopic Mass | 442.189g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 160A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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