| CAS Number | 70601-13-7 |
| Catalog Number | AG00IC30(AGN-PC-0TYDSJ) |
| Chemical Name | Boc-Trp(For)-Osu |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) (2S)-3-(1-formylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate |
| InChI | InChI=1S/C21H23N3O7/c1-21(2,3)30-20(29)22-15(19(28)31-24-17(26)8-9-18(24)27)10-13-11-23(12-25)16-7-5-4-6-14(13)16/h4-7,11-12,15H,8-10H2,1-3H3,(H,22,29)/t15-/m0/s1 |
| InChI Key | UIJBLCAUIANFPJ-HNNXBMFYSA-N |
| MDL Number | MFCD00236877 |
| Molecular Formula | C21H23N3O7 |
| Molecular Weight | 429.4232 |
| SMILES | O=Cn1cc(c2c1cccc2)C[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C |
| Synonyms | BOC-TRP(FOR)-OSU,
70601-13-7,
C21H23N3O7,
ZINC2560693,
6453AH,
KM1357,
MFCD00236877,
Carbamic acid,[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-1-[(1-formyl-1H-indol-3-yl)methyl]-2-oxoethyl]-, 1,1-dimethylethyl ester, (S)-,
|
| Complexity | 732 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 429.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 429.429g/mol |
| Monoisotopic Mass | 429.154g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number