(E)-N⁵-{Amino[(2,3-dihydroxybenzoyl)amino]methylene}-N²-[2,3-dihydroxy-4-(methylsulfonyl)benzoyl]-D-ornithyl-N-[(3S)-1-hydroxy-2-oxo-3-piperidinyl]glycinamide

More details:

• Systematic name

  (E)-N~5~-{Amino[(2,3-dihydroxybenzoyl)amino]methylene}-N~2~-[2,3-dihydroxy-4-(methylsulfonyl)benzoyl]-D-ornithyl-N-[(3S)-1-hydroxy-2-oxo-3-piperidinyl]glycinamide

• SMILES

  CS(=O)(=O)C1C=CC(C(=O)N[C@H](CCCN=C(N)NC(=O)C2C=CC=C(O)C=2O)C(=O)NCC(=O)N[C@H]2CCCN(O)C2=O)=C(O)C=1O

• Std. InChi

  InChI=1S/C28H35N7O12S/c1-48(46,47)19-10-9-15(22(39)23(19)40)24(41)33-16(26(43)31-13-20(37)32-17-7-4-12-35(45)27(17)44)6-3-11-30-28(29)34-25(42)14-5-2-8-18(36)21(14)38/h2,5,8-10,16-17,36,38-40,45H,3-4,6-7,11-13H2,1H3,(H,31,43)(H,32,37)(H,33,41)(H3,29,30,34,42)/t16-,17+/m1/s1

• Std. InChIKey

  PWKIBNJRODWPRK-SJORKVTESA-N

• Cite this record

  CSID:78439834, http://www.chemspider.com/Chemical-Structure.78439834.html (accessed 08:08, Jun 1, 2024)