Schembl691716

Structural Information

Molecular Formula

C₆₃H₉₈N₅O₂₈P

SMILES

C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@]([C@H](O[C@@H]2OP(=O)(O)OC[C@H](C(=O)O)OC/C=C(/C)\CC/C=C/C(C)(C)CCC(=C)C/C=C(\C)/CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)NC(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)C(=O)NC5=C(CCC5=O)O)O)O)O)O)NC(=O)C

InChI

InChI=1S/C63H98N5O28P/c1-29(2)16-15-18-30(3)19-20-32(5)23-26-62(10,11)25-14-13-17-31(4)24-27-86-39(56(80)81)28-87-97(84,85)96-60-51(52(95-61(65)82)63(12,83)53(94-60)54(64)78)93-58-42(67-36(9)70)43(73)48(33(6)89-58)90-57-41(66-35(8)69)44(74)49(34(7)88-57)91-59-47(77)45(75)46(76)50(92-59)55(79)68-40-37(71)21-22-38(40)72/h14,16,19,24-25,33-34,39,41-53,57-60,71,73-77,83H,5,13,15,17-18,20-23,26-28H2,1-4,6-12H3,(H2,64,78)(H2,65,82)(H,66,69)(H,67,70)(H,68,79)(H,80,81)(H,84,85)/b25-14+,30-19+,31-24-/t33-,34-,39-,41-,42-,43-,44-,45+,46-,47-,48-,49-,50+,51-,52-,53-,57+,58+,59-,60-,63+/m1/s1

InChIKey

DFQZWYLZYYMFBA-LFGINJAFSA-N

Compound name

(2R)-3-[[(2R,3R,4R,5S,6S)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-methyl-5-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-carbamoyl-4-carbamoyloxy-5-hydroxy-5-methyloxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraenoxy]propanoic acid

Related CIDs

• CID 11818911