(2S,4R)-1-[(2S)-2-[6-({5-[(6-chlorohexyl)oxy]pentyl}oxy)hexanamido]-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide

Compound number
MolPort-046-417-830
CAS number
1835705-61-7
IUPAC
(2S,4R)-1-[(2S)-2-[6-({5-[(6-chlorohexyl)oxy]pentyl}oxy)hexanamido]-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC traditional
(2S,4R)-1-[(2S)-2-[6-({5-[(6-chlorohexyl)oxy]pentyl}oxy)hexanamido]-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
SMILES
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCOCCCCCOCCCCCCCl)C(C)(C)C)cc1 |r|
InChI key
DVLICOWBWULAJJ-RWTOGVPBSA-N
Molecular formula
Molecular weight
749.45
Solubility
not available

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More Information

Compound identifiers

Compound number
MolPort-046-417-830
CAS number
1835705-61-7

Names, Synonyms and 3rd Party Identifiers

(2S,4R)-1-((S)-2-(6-((5-((6-Chlorohexyl)oxy)pentyl)oxy)hexanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
(S,R,S)-AHPC-(C3-?PEG)?2-?C6-?Cl
(S,R,S)-AHPC-6-5-6-Cl
(S,R,S)-AHPC-C6-PEG1-C3-PEG1-butyl-Cl
E3 ligase Ligand-Linker Conjugates 11
VHL Ligand-Linker Conjugates 11 E3 ligase Ligand-Linker Conjugates 11

InChI

InChI
1/C39H61ClN4O6S/c1-29-35(51-28-42-29)31-18-16-30(17-19-31)26-41-37(47)33-25-32(45)27-44(33)38(48)36(39(2,3)4)43-34(46)15-9-7-12-22-50-24-14-8-13-23-49-21-11-6-5-10-20-40/h16-19,28,32-33,36,45H,5-15,20-27H2,1-4H3,(H,41,47)(H,43,46)/t32-,33+,36-/m1/s1
InChI key
DVLICOWBWULAJJ-RWTOGVPBSA-N

Formula

Molecular formula
C39H61ClN4O6S
Molecular weight
749.45

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