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Chemical structure of (S,S,S)-AHPC-Boc

GC72938

(S,S,S)-AHPC-Boc

Also known as tert-butyl N-[(2S)-1-[(2S,4S)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

(S,S,S)-AHPC-Boc is the isomer of (S,R,S)-AHPC-Boc , and can be used as an experimental control

ChemicalCAS1797406-74-6MW530.68FormulaC27H38N4O5S
CAS number
1797406-74-6
Molecular weight
530.68
Formula
C27H38N4O5S
Solubility
DMSO : 50 mg/mL (94·22 mM; Need ultrasonic)
InChIKey
PKNFPFFOAWITLF-JAXLGGSGSA-N
Catalogue number
GC72938
Brand
GLPBIO
Computed properties PubChem CID 122551839 · XLogP 3.7 · TPSA 149 Ų · H-bond donors 3
XLogP
3.7
TPSA
149 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
37

SMILES CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)O

Computed descriptors from PubChem (CID 122551839), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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