Name: D-MoDE-A (1)
Rating: 5 (10 reviews)

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HIT ID:HIT217585009
Cas No:2378837-67-1
常用名:D-MoDE-A (1)
IUPAC:3-[2-(2-{2-[2-(2-{2-[(2,4-dinitrophenyl)amino]ethoxy}ethoxy)ethoxy]acetamido}acetamido)-3-[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}propoxy]-N-{2-[2-(2-{[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethoxy)ethoxy]ethyl}propanamide
IUPAC:3-[2-(2-{2-[2-(2-{2-[(2,4-dinitrophenyl)amino]ethoxy}ethoxy)ethoxy]acetamido}acetamido)-3-[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}propoxy]-N-{2-[2-(2-{[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethoxy)ethoxy]ethyl}propanamide
InChI key:YRHYIVQRNOXALG-AEHKLIEZSA-N

分子式:C71H121N11O39
分子量:1752.787
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)COCCOCCOCCNc1ccc(cc1N(=O)=O)N(=O)=O
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)COCCOCCOCCNc1ccc(cc1N(=O)=O)N(=O)=O

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