Name: Cemdisiran, terminal sugar modification-
Rating: 5 (10 reviews)

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HIT ID:HIT220912567
Cas No:1436858-07-9
常用名:Cemdisiran, terminal sugar modification-
常用名:Cemdisiran, terminal sugar modification-
IUPAC:{[(2S,4R)-1-(11-{[1,3-bis(2-{[3-(5-{[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanamido)propyl]carbamoyl}ethoxy)-2-[(2-{[3-(5-{[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanamido)propyl]carbamoyl}ethoxy)methyl]propan-2-yl]carbamoyl}undecanoyl)-4-hydroxypyrrolidin-2-yl]methoxy}phosphonic acid
IUPAC:{[(2S,4R)-1-(11-{[1,3-bis(2-{[3-(5-{[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanamido)propyl]carbamoyl}ethoxy)-2-[(2-{[3-(5-{[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanamido)propyl]carbamoyl}ethoxy)methyl]propan-2-yl]carbamoyl}undecanoyl)-4-hydroxypyrrolidin-2-yl]methoxy}phosphonic acid
InChI key:InChIKey=LQRNAUZEMLGYOX-LZVIIAQDSA-N

分子式:C78H140N11O34P
分子量:1806.995
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]1OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)NC(=O)CCCCCCCCCCC(=O)N1C[C@H](O)C[C@H]1COP(O)(O)=O
SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)NC(=O)CCCCCCCCCCC(=O)N1C[C@H](O)C[C@H]1COP(O)(O)=O

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