| CAS Number | 393568-74-6 |
| Catalog Number | AG00I7R3(AGN-PC-0O9TXK) |
| Chemical Name | D-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-(triphenylmethyl)- |
| IUPAC Name | (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-tritylimidazol-4-yl)propanoic acid |
| InChI | InChI=1S/C30H31N3O4/c1-29(2,3)37-28(36)32-26(27(34)35)19-25-20-33(21-31-25)30(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,20-21,26H,19H2,1-3H3,(H,32,36)(H,34,35)/t26-/m1/s1 |
| InChI Key | OYXZPXVCRAAKCM-AREMUKBSSA-N |
| MDL Number | MFCD08274494 |
| Molecular Formula | C30H31N3O4 |
| Molecular Weight | 497.5848 |
| SMILES | C(n1cc(nc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Synonyms | 393568-74-6,
Boc-D-His(Trt)-OH,
MFCD08274494,
ZINC28630903,
AKOS030212189,
FT-0700565,
N-alpha-t-Butyloxycarbonyl-N-im-t-trityl-D-histidine,
D-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-(triphenylmethyl)-,
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| Complexity | 703 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 497.231g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 497.595g/mol |
| Monoisotopic Mass | 497.231g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number