Name: CRX-526
Rating: 5 (10 reviews)

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sdf 文件

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类似物检索

HIT ID:HIT212712435
Cas No:245515-64-4
常用名:CRX-526
IUPAC:(2S)-2-[(3R)-3-(hexanoyloxy)tetradecanamido]-3-{[(2R,3R,4R,5S,6R)-3-[(3R)-3-(hexanoyloxy)tetradecanamido]-4-{[(3R)-3-(hexanoyloxy)tetradecanoyl]oxy}-6-(hydroxymethyl)-5-(phosphonooxy)oxan-2-yl]oxy}propanoic acid
IUPAC:(2S)-2-[(3R)-3-(hexanoyloxy)tetradecanamido]-3-{[(2R,3R,4R,5S,6R)-3-[(3R)-3-(hexanoyloxy)tetradecanamido]-4-{[(3R)-3-(hexanoyloxy)tetradecanoyl]oxy}-6-(hydroxymethyl)-5-(phosphonooxy)oxan-2-yl]oxy}propanoic acid
InChI key:PRIXXGNJDNLMBH-DPGPRPECSA-N

分子式:C69H127N2O19P
分子量:1319.744
氢键供体数 (HBD):6
氢键受体数 (HBA):14
LogP:16.957956
SMILES:CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCC)C(O)=O)OC(=O)CCCCC
SMILES:CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCC)C(O)=O)OC(=O)CCCCC

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