Name: ABL-001-Amide-PEG3-acid
Rating: 5 (10 reviews)

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HIT ID:HIT212666890
Cas No:
常用名:ABL-001-Amide-PEG3-acid
IUPAC:2-{2-[2-(2-{[(3S,4R)-1-(5-{[4-(chlorodifluoromethoxy)phenyl]carbamoyl}-3-(1H-pyrazol-5-yl)pyridin-2-yl)-4-hydroxypyrrolidin-3-yl]formamido}ethoxy)ethoxy]ethoxy}acetic acid
IUPAC:2-{2-[2-(2-{[(3S,4R)-1-(5-{[4-(chlorodifluoromethoxy)phenyl]carbamoyl}-3-(1H-pyrazol-5-yl)pyridin-2-yl)-4-hydroxypyrrolidin-3-yl]formamido}ethoxy)ethoxy]ethoxy}acetic acid
InChI key:XPTZKDAIAPRLMB-UPVQGACJSA-N

分子式:C29H33ClF2N6O9
分子量:683.06
氢键供体数 (HBD):5
氢键受体数 (HBA):12
LogP:0.8742233
SMILES:O[C@H]1CN(C[C@@H]1C(=O)NCCOCCOCCOCC(O)=O)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
SMILES:O[C@H]1CN(C[C@@H]1C(=O)NCCOCCOCCOCC(O)=O)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1

ABL-001-Amide-PEG3-acid, an analogue to ABL-001, primarily serves as a labeled chemical or fluorescent probe.

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