Enoxaparin sodium (1% wt/vol in 10%aq dmso)

Structural Information

Molecular Formula

C₅₇H₈₆N₄O₅₃S₃

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)COS(=O)(=O)O)O[C@H]8C([C@H](C=C(O8)C(=O)O)O)OS(=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/C57H86N4O53S3/c1-11(64)58-21-25(69)36(17(7-62)100-50(21)96-5)104-54-32(76)29(73)41(44(111-54)48(83)84)109-52-23(60-13(3)66)27(71)38(19(102-52)9-97-115(87,88)89)106-56-34(78)31(75)40(43(113-56)47(81)82)108-51-22(59-12(2)65)26(70)37(18(8-63)101-51)105-55-33(77)30(74)42(45(112-55)49(85)86)110-53-24(61-14(4)67)28(72)39(20(103-53)10-98-116(90,91)92)107-57-35(114-117(93,94)95)15(68)6-16(99-57)46(79)80/h6,15,17-45,50-57,62-63,68-78H,7-10H2,1-5H3,(H,58,64)(H,59,65)(H,60,66)(H,61,67)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)/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

ZBUXIKIFPRLCTO-OJTOBVDFSA-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-(sulfooxymethyl)oxan-3-yl]oxy-4-hydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid

Related CIDs

• CID 16667706
• CID 16667707