| CAS Number | 72156-62-8 |
| Catalog Number | AG00JKIS(AGN-PC-0U02SF) |
| Chemical Name | Boc-Trp-Phe-OMe |
| IUPAC Name | methyl (2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylpropanoate |
| InChI | InChI=1S/C26H31N3O5/c1-26(2,3)34-25(32)29-21(15-18-16-27-20-13-9-8-12-19(18)20)23(30)28-22(24(31)33-4)14-17-10-6-5-7-11-17/h5-13,16,21-22,27H,14-15H2,1-4H3,(H,28,30)(H,29,32)/t21-,22-/m0/s1 |
| InChI Key | BHPJYWAIFNMZLM-VXKWHMMOSA-N |
| MDL Number | MFCD00235772 |
| Molecular Formula | C26H31N3O5 |
| Molecular Weight | 465.5414 |
| SMILES | CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)OC |
| Synonyms | BOC-TRP-PHE-OME,
72156-62-8,
ZINC5409796,
6457AH,
MFCD00235772,
AKOS025289405,
L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-L-tryptophyl-,methyl ester,
L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-L-tryptophyl-, methyl ester,
(S)-methyl 2-((S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanamido)-3-phenylpropanoate,
C26H31N3O5,
methyl N-(tert-butoxycarbonyl)tryptophylphenylalaninate,
|
| Complexity | 701 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 465.226g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 465.55g/mol |
| Monoisotopic Mass | 465.226g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number