Enoxaparin-didesulfate

Structural Information

Molecular Formula

C₅₇H₈₆N₄O₄₇S

SMILES

CC(=O)N[C@@H]1[C@H](C([C@H](O[C@@H]1OC)CO)O[C@H]2[C@@H]([C@H]([C@@H](C(O2)C(=O)O)O[C@@H]3[C@@H]([C@H](C([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H](C(O4)C(=O)O)O[C@@H]5[C@@H]([C@H](C([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H](C(O6)C(=O)O)O[C@@H]7[C@@H]([C@H](C([C@H](O7)CO)O[C@H]8C([C@H](C=C(O8)C(=O)O)O)O)O)NC(=O)C)O)O)O)NC(=O)C)O)O)O)NC(=O)C)O)O)O

InChI

InChI=1S/C57H86N4O47S/c1-11(65)58-21-26(71)36(17(7-62)95-50(21)92-5)100-55-34(79)31(76)42(45(107-55)49(87)88)105-53-24(61-14(4)68)29(74)39(20(98-53)10-93-109(89,90)91)102-57-35(80)32(77)41(44(108-57)48(85)86)104-52-23(60-13(3)67)28(73)38(19(9-64)97-52)101-56-33(78)30(75)40(43(106-56)47(83)84)103-51-22(59-12(2)66)27(72)37(18(8-63)96-51)99-54-25(70)15(69)6-16(94-54)46(81)82/h6,15,17-45,50-57,62-64,69-80H,7-10H2,1-5H3,(H,58,65)(H,59,66)(H,60,67)(H,61,68)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90,91)/t15-,17+,18+,19+,20+,21+,22+,23+,24+,25?,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36?,37?,38?,39?,40-,41-,42-,43?,44?,45?,50-,51+,52+,53+,54-,55+,56+,57+/m0/s1

InChIKey

AOBVWCGLWZQNSR-HVYHMVOJSA-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)-6-[(2R,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(sulfooxymethyl)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 169501786