Enoxaparin-tridesulfate

Structural Information

Molecular Formula

C₅₇H₈₆N₄O₄₄

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)CO)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/C57H86N4O44/c1-11(66)58-21-26(72)36(17(7-62)92-50(21)90-5)97-55-33(79)30(76)40(43(103-55)47(84)85)101-52-23(60-13(3)68)28(74)38(19(9-64)94-52)99-57-35(81)32(78)42(45(105-57)49(88)89)102-53-24(61-14(4)69)29(75)39(20(10-65)95-53)98-56-34(80)31(77)41(44(104-56)48(86)87)100-51-22(59-12(2)67)27(73)37(18(8-63)93-51)96-54-25(71)15(70)6-16(91-54)46(82)83/h6,15,17-45,50-57,62-65,70-81H,7-10H2,1-5H3,(H,58,66)(H,59,67)(H,60,68)(H,61,69)(H,82,83)(H,84,85)(H,86,87)(H,88,89)/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

SQYDDMGEGCCJOW-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-(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 169502133