3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-[4-methyl-5-[(2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carbonyl]oxy-3-vinyl-pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-[3-methyl-5-[(2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carbonyl]oxy-4-vinyl-pyrrol-2-ylidene]methyl]-1H-pyrrol-3-yl]propanoic acid

More details:

• Systematic name

  3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-[4-methyl-5-[(2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carbonyl]oxy-3-vinyl-pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-[3-methyl-5-[(2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carbonyl]oxy-4-vinyl-pyrrol-2-ylidene]methyl]-1H-pyrrol-3-yl]propanoic acid

• SMILES

  Cc1c(c([nH]c1/C=C\2/C(=C(C(=N2)OC(=O)[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O)C=C)C)Cc4c(c(c([nH]4)/C=C\5/C(=C(C(=N5)OC(=O)[C@@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)O)O)O)O)C)C=C)C)CCC(=O)O)CCC(=O)O

• Std. InChi

  InChI=1S/C45H52N4O18/c1-7-20-19(6)40(66-44(62)38-34(56)32(54)36(58)42(60)64-38)49-27(20)14-25-18(5)23(10-12-31(52)53)29(47-25)15-28-22(9-11-30(50)51)17(4)24(46-28)13-26-16(3)21(8-2)41(48-26)67-45(63)39-35(57)33(55)37(59)43(61)65-39/h7-8,13-14,32-39,42-43,46-47,54-61H,1-2,9-12,15H2,3-6H3,(H,50,51)(H,52,53)/t32-,33-,34+,35+,36+,37+,38-,39-,42+,43+/m0/s1

• Std. InChIKey

  MQZPOWZFMGYUDB-KYFPWEIYSA-N

• Cite this record

  CSID:65793644, http://www.chemspider.com/Chemical-Structure.65793644.html (accessed 02:47, Jun 17, 2024)