| CAS Number | 2055024-65-0 |
| Catalog Number | AG019E68 |
| Chemical Name | Azido-PEG3-Val-Cit-PAB-OH |
| IUPAC Name | (2S)-2-[[(2S)-2-[3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]pentanamide |
| InChI | InChI=1S/C27H44N8O8/c1-19(2)24(34-23(37)9-12-41-14-16-43-17-15-42-13-11-31-35-29)26(39)33-22(4-3-10-30-27(28)40)25(38)32-21-7-5-20(18-36)6-8-21/h5-8,19,22,24,36H,3-4,9-18H2,1-2H3,(H,32,38)(H,33,39)(H,34,37)(H3,28,30,40)/t22-,24-/m0/s1 |
| InChI Key | UNBTYONTPDVRKD-UPVQGACJSA-N |
| MDL Number | MFCD29918230 |
| Molecular Formula | C27H44N8O8 |
| Molecular Weight | 608.6871 |
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)Nc1ccc(cc1)CO)NC(=O)CCOCCOCCOCCN=[N+]=[N-] |
| Synonyms | Azido-PEG3-Val-Cit-PAB-OH,
BP-23206,
2055024-65-0,
|
| Complexity | 879 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 608.328g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 43 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 608.697g/mol |
| Monoisotopic Mass | 608.328g/mol |
| Rotatable Bond Count | 23 |
| Topological Polar Surface Area | 205A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number