| CAS Number | 110990-09-5 |
| Catalog Number | AG0082ZF(AGN-PC-0P1GFB) |
| Chemical Name | Fmoc-D-Lys(Biotin)-OH |
| IUPAC Name | (2R)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid |
| InChI | InChI=1S/C31H38N4O6S/c36-27(15-6-5-14-26-28-25(18-42-26)33-30(39)35-28)32-16-8-7-13-24(29(37)38)34-31(40)41-17-23-21-11-3-1-9-19(21)20-10-2-4-12-22(20)23/h1-4,9-12,23-26,28H,5-8,13-18H2,(H,32,36)(H,34,40)(H,37,38)(H2,33,35,39)/t24-,25+,26+,28+/m1/s1 |
| InChI Key | OFIBQNGDYNGUEZ-KAHNYGAISA-N |
| MDL Number | MFCD00270742 |
| Molecular Formula | C31H38N4O6S |
| Molecular Weight | 594.7216 |
| SMILES | O=C(O)[C@@H](CCCCNC(CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O)=O)NC(OCC3C4=C(C5=C3C=CC=C5)C=CC=C4)=O |
| Synonyms | Fmoc-D-Lys(Biotin)-OH,
110990-09-5,
Fmoc-D-Biocytin,
Fmoc-L-Lys(Biotin)-OH,
N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-epsilon-biotinyl-D-lysine,
MFCD00270742,
ZINC71788149,
AKOS016002998,
FT-0771169,
990F095,
N2-(((9H-fluoren-9-yl)methoxy)carbonyl)-N6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl)-D-lysine,
Fmoc-Lys(Biotin)-OH,
A7921,
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| Complexity | 946 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 594.251g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 594.727g/mol |
| Monoisotopic Mass | 594.251g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 171A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number