| CAS Number | 160158-05-4 |
| Catalog Number | AG00ASLU(AGN-PC-0WBO4A) |
| Chemical Name | Fmoc-Lys(biotinyl-e-aminocaproyl)-OH |
| IUPAC Name | (2S)-6-[6-[5-[(3aR,4S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid |
| InChI | InChI=1S/C37H49N5O7S/c43-32(18-2-1-10-20-38-33(44)19-8-7-17-31-34-30(23-50-31)40-36(47)42-34)39-21-11-9-16-29(35(45)46)41-37(48)49-22-28-26-14-5-3-12-24(26)25-13-4-6-15-27(25)28/h3-6,12-15,28-31,34H,1-2,7-11,16-23H2,(H,38,44)(H,39,43)(H,41,48)(H,45,46)(H2,40,42,47)/t29-,30+,31-,34+/m0/s1 |
| InChI Key | SLWMKSMUFPMDKA-YHNFGGNYSA-N |
| MDL Number | MFCD00672715 |
| Molecular Formula | C37H49N5O7S |
| Molecular Weight | 707.8793 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@@H](CCCCNC(CCCCCNC(CCCC[C@@H]1SC[C@@H]2NC(N[C@@H]21)=O)=O)=O)C(=O)O |
| Synonyms | Fmoc-Lys(Ahx-biotinyl)-OH,
Fmoc-Lys(biotinyl--aminocaproyl)-OH,
Fmoc-Lys(biotinyl-epsilon-aminocaproyl)-OH,
160158-05-4,
C37H49N5O7S,
6952AH,
MFCD00672715,
ZINC150663853,
|
| Complexity | 1140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 707.335g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 50 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 707.887g/mol |
| Monoisotopic Mass | 707.335g/mol |
| Rotatable Bond Count | 21 |
| Topological Polar Surface Area | 200A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number