| CAS Number | 2055041-39-7 |
| Catalog Number | AG019E66 |
| Chemical Name | Mal-PEG4-Val-Cit-PAB-OH |
| IUPAC Name | (2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-N-[4-(hydroxymethyl)phenyl]pentanamide |
| InChI | InChI=1S/C33H50N6O11/c1-23(2)30(32(45)37-26(4-3-12-35-33(34)46)31(44)36-25-7-5-24(22-40)6-8-25)38-27(41)11-14-47-16-18-49-20-21-50-19-17-48-15-13-39-28(42)9-10-29(39)43/h5-10,23,26,30,40H,3-4,11-22H2,1-2H3,(H,36,44)(H,37,45)(H,38,41)(H3,34,35,46)/t26-,30-/m0/s1 |
| InChI Key | RFGYJIMAJDHMSQ-YZNIXAGQSA-N |
| MDL Number | MFCD29918232 |
| Molecular Formula | C33H50N6O11 |
| Molecular Weight | 706.7837 |
| SMILES | O=C1N(C(C=C1)=O)CCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N[C@H](C(=O)NC1=CC=C(C=C1)CO)CCCNC(=O)N)C(C)C |
| Synonyms | Mal-PEG4-Val-Cit-PAB-OH,
2055041-39-7,
BP-23204,
|
| Complexity | 1100 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 706.354g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 50 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 706.794g/mol |
| Monoisotopic Mass | 706.354g/mol |
| Rotatable Bond Count | 26 |
| Topological Polar Surface Area | 237A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number