| CAS Number | 787554-04-5 |
| Catalog Number | AG003SPS(AGN-PC-0UDRA7) |
| Chemical Name | Nalpha-(2,4,6-Triisopropylbenzenesulfonyl)-O-(tert-butyldiphenylsilyl)-pros-methyl-L-histidinol |
| IUPAC Name | N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(3-methylimidazol-4-yl)propan-2-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide |
| InChI | InChI=1S/C38H53N3O3SSi/c1-27(2)30-21-35(28(3)4)37(36(22-30)29(5)6)45(42,43)40-31(23-32-24-39-26-41(32)10)25-44-46(38(7,8)9,33-17-13-11-14-18-33)34-19-15-12-16-20-34/h11-22,24,26-29,31,40H,23,25H2,1-10H3/t31-/m0/s1 |
| InChI Key | WRQMRAGSDVXWEV-HKBQPEDESA-N |
| MDL Number | MFCD08276432 |
| Molecular Formula | C38H53N3O3SSi |
| Molecular Weight | 659.9962 |
| SMILES | CC(C)C1=CC(C(C)C)=C(C(=C1)C(C)C)S(=O)(=O)N[C@H](CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)CC1=CN=CN1C |
| Synonyms | 787554-04-5,
Nalpha-(2,4,6-Triisopropylbenzenesulfonyl)-O-(tert-butyldiphenylsilyl)-pros-methyl-L-histidinol,
CTK8B3410,
DTXSID20458221,
ANW-42480,
MFCD08276432,
RTR-025145,
TR-025145,
1-Methyl-5-[(S)-2-(2,4,6-triisopropylphenylsulfonylamino)-3-(tert-butyldiphenylsiloxy)propyl]-1H-imidazole,
N-alpha-(2,4,6-Triisopropylbenzenesulfonyl)-O-(tert-butyldiphenylsilyl)-pros-methyl-L-histidinol,
CID11193139,
CID 11193139,
T2223,
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| Complexity | 991 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 659.358g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 46 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 660.005g/mol |
| Monoisotopic Mass | 659.358g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 81.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number