| CAS Number | 2055048-57-0 |
| Catalog Number | AG019E8K |
| Chemical Name | Fmoc-PEG4-Ala-Ala-Asn-Pab |
| IUPAC Name | 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[4-(hydroxymethyl)anilino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate |
| InChI | InChI=1S/C43H56N6O12/c1-28(40(53)47-29(2)41(54)49-37(25-38(44)51)42(55)48-31-13-11-30(26-50)12-14-31)46-39(52)15-17-57-19-21-59-23-24-60-22-20-58-18-16-45-43(56)61-27-36-34-9-5-3-7-32(34)33-8-4-6-10-35(33)36/h3-14,28-29,36-37,50H,15-27H2,1-2H3,(H2,44,51)(H,45,56)(H,46,52)(H,47,53)(H,48,55)(H,49,54)/t28-,29-,37-/m0/s1 |
| InChI Key | SAXNVMPCIWDUGW-PBCNQIPESA-N |
| MDL Number | MFCD30458033 |
| Molecular Formula | C43H55N5O13 |
| Molecular Weight | 849.9225 |
| SMILES | C(NC1=CC=C(CO)C=C1)(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCOCCOCCOCCOCCNC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2 |
| Synonyms | Fmoc-PEG4-Ala-Ala-Asn-PAB,
2055048-57-0,
BP-23328,
|
| Complexity | 1360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 848.396g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 61 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 848.951g/mol |
| Monoisotopic Mass | 848.396g/mol |
| Rotatable Bond Count | 28 |
| Topological Polar Surface Area | 255A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number