Celogentin F

More details:

• Systematic name

  N~5~-(Diaminomethylene)-N~2~-{[(8R,9S,12S,15S,18S,21S,27S)-21-{3-[(diaminomethylene)amino]propyl}-12-isobutyl-8,15-diisopropyl-10,13,16,19,22,25-hexaoxo-9-[(5-oxo-L-prolyl)amino]-2,11,14,17,20,23,26,3 0,32-nonaazapentacyclo[16.14.2.1~3,7~.1~29,32~.0~4,33~]hexatriaconta-1(33),3(36),4,6,29(35),30-hexaen-27-yl]carbonyl}-L-ornithine

• SMILES

  O=C(O)[C@@H](NC(=O)[C@H]3NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]6NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)CC1)[C@@H](c5ccc4c(c(n2cc(nc2)C3)nc4c5)C6)C(C)C)CC(C)C)C(C)C)CCC/N=C(\N)N)CCC/N=C(\N)N

• Std. InChi

  InChI=1S/C53H78N18O11/c1-24(2)17-35-48(78)69-41(26(5)6)49(79)68-37-20-30-29-12-11-27(40(25(3)4)42(50(80)67-35)70-45(75)32-13-14-38(72)62-32)18-34(29)64-43(30)71-22-28(61-23-71)19-36(46(76)66-33(51(81)82)10-8-16-59-53(56)57)63-39(73)21-60-44(74)31(65-47(37)77)9-7-15-58-52(54)55/h11-12,18,22-26,31-33,35-37,40-42,64H,7-10,13-17,19-21H2,1-6H3,(H,60,74)(H,62,72)(H,63,73)(H,65,77)(H,66,76)(H,67,80)(H,68,79)(H,69,78)(H,70,75)(H,81,82)(H4,54,55,58)(H4,56,57,59)/t31-,32-,33-,35-,36-,37-,40+,41-,42-/m0/s1

• Std. InChIKey

  VRPGLWBFMCZAOM-OWTAZXAESA-N

• Cite this record

  CSID:9030525, http://www.chemspider.com/Chemical-Structure.9030525.html (accessed 05:02, Jun 28, 2024)