| CAS Number | 1334172-64-3 |
| Catalog Number | AG00VR4R(AGN-PC-0WGEUQ) |
| Chemical Name | N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-epsilon-[15-(biotinamido)-4,7,10,13-tetraoxa-pentadecanoyl]-L-lysine |
| IUPAC Name | (2S)-6-[3-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid |
| InChI | InChI=1S/C42H59N5O11S/c48-37(15-6-5-14-36-39-35(28-59-36)45-41(52)47-39)44-18-20-55-22-24-57-26-25-56-23-21-54-19-16-38(49)43-17-8-7-13-34(40(50)51)46-42(53)58-27-33-31-11-3-1-9-29(31)30-10-2-4-12-32(30)33/h1-4,9-12,33-36,39H,5-8,13-28H2,(H,43,49)(H,44,48)(H,46,53)(H,50,51)(H2,45,47,52)/t34-,35-,36-,39-/m0/s1 |
| InChI Key | PNYHBAKBBQCIDX-FWIWLVIWSA-N |
| MDL Number | MFCD21363320 |
| Molecular Formula | C42H59N5O11S |
| Molecular Weight | 842.0098 |
| SMILES | C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)NC(=O)N2 |
| Synonyms | 1334172-64-3,
MFCD21363320,
ZINC230494266,
Fmoc-N-Lys-(PEG4-biotin)-OH-(acid),
fmoc-l-lys(dpeg(tm)(4)-biotin)-oh,
|
| Complexity | 1290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 841.393g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 59 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 842.018g/mol |
| Monoisotopic Mass | 841.393g/mol |
| Rotatable Bond Count | 30 |
| Topological Polar Surface Area | 237A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number