Rivipansel

More details:

• Systematic name

  (1R,2R,3S,5R)-2-[(6-Deoxy-alpha-L-galactopyranosyl)oxy]-3-{[(2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)carbonyl]amino}-5-[(2-{[(2-{2-oxo-2-[(3,6,8-trisulfo-1-naphthyl)amino]ethoxy}ethoxy)acetyl]amino }ethyl)carbamoyl]cyclohexyl 2-O-benzoyl-3-O-[(1S)-1-carboxy-2-cyclohexylethyl]-beta-D-galactopyranoside

• SMILES

  C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](C[C@H](C[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H](CC4CCCCC4)C(=O)O)OC(=O)c5ccccc5)C(=O)NCCNC(=O)COCCOCC(=O)Nc6cc(cc7c6c(cc(c7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)c8cc(=O)[nH]c(=O)[nH]8)O)O)O

• Std. InChi

  InChI=1S/C58H74N6O31S3/c1-27-45(69)47(71)48(72)56(90-27)95-49-35(62-53(74)36-23-41(66)64-58(78)63-36)19-31(20-37(49)92-57-51(94-55(77)29-10-6-3-7-11-29)50(46(70)39(24-65)93-57)91-38(54(75)76)16-28-8-4-2-5-9-28)52(73)60-13-12-59-42(67)25-88-14-15-89-26-43(68)61-34-21-32(96(79,80)81)17-30-18-33(97(82,83)84)22-40(44(30)34)98(85,86)87/h3,6-7,10-11,17-18,21-23,27-28,31,35,37-39,45-51,56-57,65,69-72H,2,4-5,8-9,12-16,19-20,24-26H2,1H3,(H,59,67)(H,60,73)(H,61,68)(H,62,74)(H,75,76)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H2,63,64,66,78)/t27-,31+,35-,37+,38-,39+,45+,46-,47+,48-,49+,50-,51+,56-,57+/m0/s1

• Std. InChIKey

  VXBNTHRZPJLRSS-PTCSXESPSA-N

• Cite this record

  CSID:30790724, http://www.chemspider.com/Chemical-Structure.30790724.html (accessed 21:43, Jul 5, 2024)