| CAS Number | 327603-46-3 |
| Catalog Number | AG00C7VY(AGN-PC-0WBO5W) |
| Chemical Name | (3S)-2-[(tert-Butoxy)carbonyl]-9-formyl-1H,3H,4H-pyrido[3,4-b]indole-3-carboxylic acid |
| IUPAC Name | (3S)-9-formyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid |
| InChI | InChI=1S/C18H20N2O5/c1-18(2,3)25-17(24)19-9-15-12(8-14(19)16(22)23)11-6-4-5-7-13(11)20(15)10-21/h4-7,10,14H,8-9H2,1-3H3,(H,22,23)/t14-/m0/s1 |
| InChI Key | AZIRJPZNFMYXIW-AWEZNQCLSA-N |
| MDL Number | MFCD01862297 |
| Molecular Formula | C18H20N2O5 |
| Molecular Weight | 344.3618 |
| SMILES | O=Cn1c2ccccc2c2c1CN(C(=O)OC(C)(C)C)[C@@H](C2)C(=O)O |
| Synonyms | 327603-46-3,
Boc-Tpi(For)-OH,
ZINC2386603,
6451AH,
MFCD01862297,
AKOS030212165,
Boc-Nin-formyl-L-1,2,3,4-tetrahydronorharmane-3-carboxylic acid,
C18H20N2O5,
(3S)-2-[(tert-butoxy)carbonyl]-9-formyl-1H,3H,4H-pyrido[3,4-b]indole-3-carboxylic acid,
N-alpha-(t-Butyloxycarbonyl)-1,2,3,4-tetrahydronorharman-L-3-carboxylic acid,
|
| Complexity | 558 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.367g/mol |
| Monoisotopic Mass | 344.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number