Enoxaparin-monodesulfate

Structural Information

Molecular Formula

C₅₇H₈₆N₄O₅₀S₂

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)O)O)NC(=O)C)O)O)O)NC(=O)C)O)O)O)NC(=O)C)O)O)O

InChI

InChI=1S/C57H86N4O50S2/c1-11(64)58-21-26(70)36(17(7-62)98-50(21)94-5)102-55-33(77)30(74)41(44(109-55)48(84)85)108-53-24(61-14(4)67)29(73)39(20(101-53)10-96-113(91,92)93)105-57-35(79)32(76)40(43(111-57)47(82)83)106-51-22(59-12(2)65)27(71)37(18(8-63)99-51)103-56-34(78)31(75)42(45(110-56)49(86)87)107-52-23(60-13(3)66)28(72)38(19(100-52)9-95-112(88,89)90)104-54-25(69)15(68)6-16(97-54)46(80)81/h6,15,17-45,50-57,62-63,68-79H,7-10H2,1-5H3,(H,58,64)(H,59,65)(H,60,66)(H,61,67)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,88,89,90)(H,91,92,93)/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

FFYSHSWIJGWQQS-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-(sulfooxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

Related CIDs

• CID 169501852