Name: (S,R,S)-AHPC-Boc-trans-3-aminocyclobutanol-Pip-CH2COOH
Rating: 5 (10 reviews)

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HIT ID:HIT214323007
Cas No:2086301-47-3
常用名:(S,R,S)-AHPC-Boc-trans-3-aminocyclobutanol-Pip-CH2COOH
常用名:(S,R,S)-AHPC-Boc-trans-3-aminocyclobutanol-Pip-CH2COOH
别名:VH032-Boc-trans-3-aminocyclobutanol-Pip-CH2COOH, (S,R,S)-AHPC-Boc-trans-3-aminocyclobutanol-Pip-CH2COOH
别名:VH032-Boc-trans-3-aminocyclobutanol-Pip-CH2COOH, (S,R,S)-AHPC-Boc-trans-3-aminocyclobutanol-Pip-CH2COOH
IUPAC:tert-butyl N-[(1r,3r)-3-{[1-({[(2S)-1-[(2S,4R)-4-hydroxy-2-{[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl}pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}methyl)piperidin-4-yl]oxy}cyclobutyl]carbamate
IUPAC:tert-butyl N-[(1r,3r)-3-{[1-({[(2S)-1-[(2S,4R)-4-hydroxy-2-{[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl}pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}methyl)piperidin-4-yl]oxy}cyclobutyl]carbamate
InChI key:MBBHQLTUHKETEL-GHNUVCSISA-N

分子式:C39H58N6O7S
分子量:754.99
氢键供体数 (HBD):4
氢键受体数 (HBA):8
LogP:4.675
SMILES:C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CN1CCC(CC1)O[C@H]1C[C@@H](C1)NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(cc1)-c1scnc1C |wU:13.14,25.26,37.41,1.0,7.7,wD:27.31,37.42,5.4,@@:37,(-11.67,-11.22,;-11.35,-9.71,;-9.89,-9.24,;-8.74,-10.27,;-9.06,-11.77,;-7.28,-9.79,;-6.8,-8.33,;-5.26,-8.33,;-4.36,-7.08,;-4.78,-9.79,;-6.03,-10.7,;-6.03,-12.24,;-7.36,-13.01,;-4.7,-13.01,;-3.36,-12.24,;-2.03,-13.01,;-.7,-12.24,;-2.03,-14.55,;-.7,-15.32,;.64,-14.55,;1.97,-15.32,;1.97,-16.86,;.64,-17.63,;-.7,-16.86,;3.31,-17.63,;3.31,-19.17,;4.39,-20.26,;3.31,-21.34,;2.22,-20.26,;3.31,-22.88,;1.97,-23.65,;.64,-22.88,;1.97,-25.19,;.64,-25.96,;-.7,-26.73,;1.41,-27.3,;-.13,-24.63,;-4.7,-14.55,;-6.24,-14.55,;-3.16,-14.55,;-4.7,-16.09,;-12.49,-8.68,;-13.96,-9.16,;-15.1,-8.13,;-14.78,-6.62,;-13.32,-6.15,;-12.17,-7.18,;-15.93,-5.59,;-15.77,-4.06,;-17.17,-3.43,;-18.2,-4.58,;-17.43,-5.91,;-18.06,-7.32,)|
SMILES:C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CN1CCC(CC1)O[C@H]1C[C@@H](C1)NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(cc1)-c1scnc1C |wU:13.14,25.26,37.41,1.0,7.7,wD:27.31,37.42,5.4,@@:37,(-11.67,-11.22,;-11.35,-9.71,;-9.89,-9.24,;-8.74,-10.27,;-9.06,-11.77,;-7.28,-9.79,;-6.8,-8.33,;-5.26,-8.33,;-4.36,-7.08,;-4.78,-9.79,;-6.03,-10.7,;-6.03,-12.24,;-7.36,-13.01,;-4.7,-13.01,;-3.36,-12.24,;-2.03,-13.01,;-.7,-12.24,;-2.03,-14.55,;-.7,-15.32,;.64,-14.55,;1.97,-15.32,;1.97,-16.86,;.64,-17.63,;-.7,-16.86,;3.31,-17.63,;3.31,-19.17,;4.39,-20.26,;3.31,-21.34,;2.22,-20.26,;3.31,-22.88,;1.97,-23.65,;.64,-22.88,;1.97,-25.19,;.64,-25.96,;-.7,-26.73,;1.41,-27.3,;-.13,-24.63,;-4.7,-14.55,;-6.24,-14.55,;-3.16,-14.55,;-4.7,-16.09,;-12.49,-8.68,;-13.96,-9.16,;-15.1,-8.13,;-14.78,-6.62,;-13.32,-6.15,;-12.17,-7.18,;-15.93,-5.59,;-15.77,-4.06,;-17.17,-3.43,;-18.2,-4.58,;-17.43,-5.91,;-18.06,-7.32,)|

(S,R,S)-AHPC-Boc-trans-3-aminocyclobutanol-Pip-CH2COOH, also known as VH032-Boc-trans-3-aminocyclobutanol-Pip-CH2COOH, is a conjugate compound comprising a ligand-linker that targets E3 ligase and, on one end, features a VHL ligand. It is employed in PROTAC technology applications.

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