Name: Acetylene-PEG3-MMAF-OMe
Rating: 5 (10 reviews)

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HIT ID:HIT218887565
Cas No:1411977-91-7
常用名:Acetylene-PEG3-MMAF-OMe
别名:LCB14-0536
IUPAC:methyl (2S)-2-[(2R)-2-[(R)-[(2S)-1-[(3R,4S,5S)-4-[(2S)-N,3-dimethyl-2-[(2S)-3-methyl-2-(N-methyl-2-{2-[2-(prop-2-yn-1-yloxy)ethoxy]ethoxy}acetamido)butanamido]butanamido]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl](methoxy)methyl]propanamido]-3-phenylpropanoate
IUPAC:methyl (2S)-2-[(2R)-2-[(R)-[(2S)-1-[(3R,4S,5S)-4-[(2S)-N,3-dimethyl-2-[(2S)-3-methyl-2-(N-methyl-2-{2-[2-(prop-2-yn-1-yloxy)ethoxy]ethoxy}acetamido)butanamido]butanamido]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl](methoxy)methyl]propanamido]-3-phenylpropanoate
InChI key:IXHSQIFHDJLENR-ZPAUYSRYSA-N

分子式:C49H79N5O12
分子量:930.194
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)COCCOCCOCC#C)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC
SMILES:[H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)COCCOCCOCC#C)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC

Acetylene-PEG3-MMAF-OMe (LCB14-0536) 作为一种高效的蛋白质-活性剂复合物,被isoprenoid transferase特异性识别.该化合物兼具点击化学试剂的功能,其Alkyne基团能够通过CuAAc与含Azide基团的分子进行铜催化的环加成反应.

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