| CAS Number | 2245697-83-8 |
| Catalog Number | AG01FHHA(AGN-PC-3H4B0A) |
| Chemical Name | Protac linker 5 |
| IUPAC Name | (2S,4R)-1-[(2S)-2-(5-aminopentanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride |
| InChI | InChI=1S/C27H39N5O4S.ClH/c1-17-23(37-16-30-17)19-10-8-18(9-11-19)14-29-25(35)21-13-20(33)15-32(21)26(36)24(27(2,3)4)31-22(34)7-5-6-12-28;/h8-11,16,20-21,24,33H,5-7,12-15,28H2,1-4H3,(H,29,35)(H,31,34);1H/t20-,21+,24-;/m1./s1 |
| InChI Key | HJICCZROGLAHNB-BIBCNAKVSA-N |
| MDL Number | MFCD31656716 |
| Molecular Formula | C27H40ClN5O4S |
| Molecular Weight | 566.1556 |
| SMILES | [H]Cl.O=[C@]([C@@H]2N(C([C@H](C(C)(C)C)NC(CCCCN)=O)=O)C[C@H](O)C2)NCC1=CC=C(C3=C(C)N=CS3)C=C1 |
| Synonyms | Protac linker 5,
2245697-83-8,
VH 032 - linker 3,
AKOS034834082,
HY-114176,
CS-0078575,
(2S,4R)-1-((S)-2-(5-aminopentanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide hydrochloride,
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| Complexity | 783 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 565.249g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 566.158g/mol |
| Monoisotopic Mass | 565.249g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 166A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number