Enoxaparin-tridesulfate depolymerized 1

Structural Information

Molecular Formula

C₄₈H₇₁N₃O₃₉

SMILES

CC(=O)N[C@@H]1[C@H](C([C@H](O[C@@H]1O[C@H]2[C@@H]([C@H]([C@@H](OC2C(=O)O)O)O)O)CO)O[C@H]3[C@@H]([C@H]([C@@H](C(O3)C(=O)O)O[C@@H]4[C@@H]([C@H](C([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H](C(O5)C(=O)O)O[C@@H]6[C@@H]([C@H](C([C@H](O6)CO)O[C@H]7C([C@H](C=C(O7)C(=O)O)O)O)O)NC(=O)C)O)O)O)NC(=O)C)O)O)O

InChI

InChI=1S/C48H71N3O39/c1-8(55)49-16-20(60)29(83-46-19(59)11(58)4-12(78-46)38(69)70)13(5-52)79-44(16)87-33-24(64)27(67)48(89-36(33)40(73)74)85-31-15(7-54)81-45(18(22(31)62)51-10(3)57)88-34-25(65)28(68)47(90-37(34)41(75)76)84-30-14(6-53)80-43(17(21(30)61)50-9(2)56)86-32-23(63)26(66)42(77)82-35(32)39(71)72/h4,11,13-37,42-48,52-54,58-68,77H,5-7H2,1-3H3,(H,49,55)(H,50,56)(H,51,57)(H,69,70)(H,71,72)(H,73,74)(H,75,76)/t11-,13+,14+,15+,16+,17+,18+,19?,20+,21+,22+,23+,24+,25+,26+,27+,28+,29?,30?,31?,32-,33-,34-,35?,36?,37?,42+,43+,44+,45+,46-,47+,48+/m0/s1

InChIKey

XEUXNXBJKLIWMQ-OHDYMMFFSA-N

Compound name

(2R,4S)-2-[(2R,4R,5R,6R)-5-acetamido-6-[(3S,4R,5R,6R)-6-[(2R,4R,5R,6R)-5-acetamido-6-[(3S,4R,5R,6R)-6-[(2R,4R,5R,6R)-5-acetamido-6-[(3S,4R,5R,6R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

Related CIDs

• CID 169502218