| CAS Number | 2097973-72-1 |
| Catalog Number | AG01EO9N(AGN-PC-3H46AM) |
| Chemical Name | E3 ligase Ligand-Linker Conjugates 6 |
| IUPAC Name | (2S,4R)-1-[(2S)-2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride |
| InChI | InChI=1S/C28H41N5O6S.ClH/c1-18-24(40-17-31-18)20-7-5-19(6-8-20)14-30-26(36)22-13-21(34)15-33(22)27(37)25(28(2,3)4)32-23(35)16-39-12-11-38-10-9-29;/h5-8,17,21-22,25,34H,9-16,29H2,1-4H3,(H,30,36)(H,32,35);1H/t21-,22+,25-;/m1./s1 |
| InChI Key | SYAOHFUUVWFWJH-ZBXLSASTSA-N |
| MDL Number | MFCD31728145 |
| Molecular Formula | C28H42ClN5O6S |
| Molecular Weight | 612.1810 |
| SMILES | C([C@@H](NC(COCCOCCN)=O)[C@@](C)(C)C)(=O)N1[C@H](C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C[C@@H](O)C1.Cl |
| Synonyms | E3 ligase Ligand-Linker Conjugates 6,
2097973-72-1,
(S,R,S)-AHPC-PEG2-NH2 hydrochloride,
SCHEMBL19747174,
CS-7739,
HY-103603,
|
| Complexity | 835 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 611.254g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 612.183g/mol |
| Monoisotopic Mass | 611.254g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 184A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number