Names and Identifiers

• • albicidin
  • NZSWNNDHPOTJNH-VEJILBAHSA-N
  • BWH
  • (S,E)-4-(4-(4-(3-cyano-2-(4-(3-(4-hydroxyphenyl)-2-methylacrylamido)benzamido) propanamido)benzamido)-2-hydroxy-3-methoxybenzamido)-2-hydroxy-3-methoxybenzoic acid
  • CHEBI:218232
  • AKOS040747787
  • 4-[[4-[[4-[[(2S)-3-cyano-2-[[4-[[(E)-3-(4-hydroxyphenyl)-2-methylprop-2-enoyl]amino]benzoyl]amino]propanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzoyl]amino]-2-hydroxy-3-methoxybenzoic acid
  • SCHEMBL15956026
  • SCHEMBL15956023
  • Albicidin
  • +expand
• • Inchi： 1S/C44H38N6O12/c1-23(22-24-4-14-29(51)15-5-24)39(54)46-27-10-6-26(7-11-27)41(56)50-34(20-21-45)43(58)47-28-12-8-25(9-13-28)40(55)48-32-18-16-30(35(52)37(32)61-2)42(57)49-33-19-17-31(44(59)60)36(53)38(33)62-3/h4-19,22,34,51-53H,20H2,1-3H3,(H,46,54)(H,47,58)(H,48,55)(H,49,57)(H,50,56)(H,59,60)/b23-22+/t34-/m0/s1
  • InChI Key： NZSWNNDHPOTJNH-VEJILBAHSA-N
  • SMILES： O(C([H])([H])[H])C1C(=C(C(N([H])C2C([H])=C([H])C(C(=O)O[H])=C(C=2OC([H])([H])[H])O[H])=O)C([H])=C([H])C=1N([H])C(C1C([H])=C([H])C(=C([H])C=1[H])N([H])C([C@]([H])(C([H])([H])C#N)N([H])C(C1C([H])=C([H])C(=C([H])C=1[H])N([H])C(/C(/C([H])([H])[H])=C(\[H])/C1C([H])=C([H])C(=C([H])C=1[H])O[H])=O)=O)=O)=O)O[H]

Computed Properties