N-(2,3-Dihydroxybenzoyl)glycyl-O-[(2S,3R)-2-{[N-(2,3-dihydroxybenzoyl)glycyl]amino}-3-{[(2Z)-2-{[N-(2,3-dihydroxybenzoyl)glycyl]amino}-2-butenoyl]oxy}butanoyl]-L-threonine

More details:

• Systematic name

  N-(2,3-Dihydroxybenzoyl)glycyl-O-[(2S,3R)-2-{[N-(2,3-dihydroxybenzoyl)glycyl]amino}-3-{[(2Z)-2-{[N-(2,3-dihydroxybenzoyl)glycyl]amino}-2-butenoyl]oxy}butanoyl]-L-threonine

• SMILES

  C/C=C(/C(=O)O[C@H](C)[C@@H](C(=O)O[C@H](C)[C@@H](C(=O)O)NC(=O)CNC(=O)c1cccc(c1O)O)NC(=O)CNC(=O)c2cccc(c2O)O)\NC(=O)CNC(=O)c3cccc(c3O)O

• Std. InChi

  InChI=1S/C39H42N6O18/c1-4-22(43-26(49)14-40-34(55)19-8-5-11-23(46)31(19)52)38(60)62-18(3)30(45-28(51)16-42-36(57)21-10-7-13-25(48)33(21)54)39(61)63-17(2)29(37(58)59)44-27(50)15-41-35(56)20-9-6-12-24(47)32(20)53/h4-13,17-18,29-30,46-48,52-54H,14-16H2,1-3H3,(H,40,55)(H,41,56)(H,42,57)(H,43,49)(H,44,50)(H,45,51)(H,58,59)/b22-4-/t17-,18-,29+,30+/m1/s1

• Std. InChIKey

  PVVZJVCYKGHEJK-ADHBOQDSSA-N

• Cite this record

  CSID:62233317, http://www.chemspider.com/Chemical-Structure.62233317.html (accessed 10:08, Apr 25, 2024)