Name: M-MoDE-A (2)
Rating: 5 (10 reviews)

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HIT ID:HIT217584987
Cas No:2378837-56-8
常用名:M-MoDE-A (2)
IUPAC:N-[({1,3-bis[2-({2-[2-(2-{[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethoxy)ethoxy]ethyl}carbamoyl)ethoxy]-2-{[2-({2-[2-(2-{[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethoxy)ethoxy]ethyl}carbamoyl)ethoxy]methyl}propan-2-yl}carbamoyl)methyl]-4-({2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]quinolin-6-yl}oxy)butanamide
IUPAC:N-[({1,3-bis[2-({2-[2-(2-{[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethoxy)ethoxy]ethyl}carbamoyl)ethoxy]-2-{[2-({2-[2-(2-{[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethoxy)ethoxy]ethyl}carbamoyl)ethoxy]methyl}propan-2-yl}carbamoyl)methyl]-4-({2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]quinolin-6-yl}oxy)butanamide
InChI key:IKWVRATZKUBMFQ-VSYHIQGSSA-N

分子式:C78H119FN12O34
分子量:1787.858
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)(COCCC(=O)NCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)NC(=O)CNC(=O)CCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1
SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)(COCCC(=O)NCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)NC(=O)CNC(=O)CCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1

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