| CAS Number | 1272754-91-2 |
| Catalog Number | AG00JKI3(AGN-PC-0WBOKL) |
| Chemical Name | Fmoc-SS-Dab(3-Aloc)-OH |
| IUPAC Name | (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(prop-2-enoxycarbonylamino)butanoic acid |
| InChI | InChI=1S/C23H24N2O6/c1-3-12-30-22(28)24-14(2)20(21(26)27)25-23(29)31-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h3-11,14,19-20H,1,12-13H2,2H3,(H,24,28)(H,25,29)(H,26,27)/t14-,20-/m0/s1 |
| InChI Key | IFXXIYKRKUGABN-XOBRGWDASA-N |
| MDL Number | MFCD07366900 |
| Molecular Formula | C23H24N2O6 |
| Molecular Weight | 424.4465 |
| SMILES | C=CCOC(=O)N[C@H]([C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2)C |
| Synonyms | 1272754-91-2,
(2S,3S)-(Fmoc-amino)-3-allyloxycarbonyl-aminobutyric acid,
(2S,3S)-N2-(9-FLUORENYLMETHYLOXYCARBONYL)-N3-ALLYLOXYCARBONYL-2,3-DIAMINOBUTYRIC ACID,
fmoc-ss-dab(3-aloc)-oh,
SCHEMBL20267098,
CTK5J5069,
MFCD07366900,
AKOS030212455,
ZINC104841056,
|
| Complexity | 647 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 424.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 424.453g/mol |
| Monoisotopic Mass | 424.163g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number