| CAS Number | 219851-87-3 |
| Catalog Number | AG00BJ3B(AGN-PC-0QYIZF) |
| Chemical Name | Methyl 2-(N-(tert-butoxycarbonyl)-4-MethylphenylsulfonaMido)acrylate |
| IUPAC Name | methyl 2-[(4-methylphenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-2-enoate |
| InChI | InChI=1S/C16H21NO6S/c1-11-7-9-13(10-8-11)24(20,21)17(12(2)14(18)22-6)15(19)23-16(3,4)5/h7-10H,2H2,1,3-6H3 |
| InChI Key | AJBLEDYODQIESJ-UHFFFAOYSA-N |
| MDL Number | MFCD28579812 |
| Molecular Formula | C16H21NO6S |
| Molecular Weight | 355.4060 |
| SMILES | COC(=O)C(=C)N(C(=O)OC(C)(C)C)S(=O)(=O)C1=CC=C(C)C=C1 |
| Synonyms | Methyl 2-(N-(tert-butoxycarbonyl)-4-MethylphenylsulfonaMido)acrylate,
219851-87-3,
N-Boc-N-Tosyl-deltaAla-OMe,
MFCD28579812,
AKOS026674213,
ZINC141012670,
AS-55167,
CS-0012605,
Methyl 2-(n-(t-butoxycarbonyl)-4-methylphenylsulfonamido)acrylate,
methyl 2-((N-(tert-butoxycarbonyl)-4-methylphenyl)sulfonamido)acrylate,
CID10959194,
Methyl 2-[(4-methylphenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-2-enoate,
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| Complexity | 591 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 355.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 355.405g/mol |
| Monoisotopic Mass | 355.109g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 98.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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