| CAS Number | 2098799-80-3 |
| Catalog Number | AG01FPOM(AGN-PC-3H5P1L) |
| Chemical Name | VH032-PEG3-acetylene |
| IUPAC Name | (2S,4R)-N-[(2S)-3,3-dimethyl-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]-4-hydroxy-1-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide |
| InChI | InChI=1S/C31H42N4O7S/c1-6-11-40-12-13-41-14-15-42-19-26(37)33-28(31(3,4)5)30(39)34-29(38)25-16-24(36)18-35(25)17-22-7-9-23(10-8-22)27-21(2)32-20-43-27/h1,7-10,20,24-25,28,36H,11-19H2,2-5H3,(H,33,37)(H,34,38,39)/t24-,25+,28-/m1/s1 |
| InChI Key | NVXADBSEZIKICT-CERRFVOPSA-N |
| MDL Number | MFCD08692016 |
| Molecular Formula | C31H42N4O7S |
| Molecular Weight | 614.7528 |
| SMILES | C(C)(C)(C)[C@@H](C(=O)N1[C@@H](C[C@H](C1)O)C(=O)NCC1=CC=C(C=C1)C1=C(N=CS1)C)NC(COCCOCCOCC#C)=O |
| Synonyms | VH032-ketone-PEG3-C-alkyne,
2098799-80-3,
|
| Complexity | 960 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 614.277421g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 43 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 614.8g/mol |
| Monoisotopic Mass | 614.277421g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 168Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number