(3R)-3-(α-L-Allopyranosyloxy)-N-[(2Z)-1-({(3S,6R,12R,18S,21R,24R,25S)-12-(3-amino-3-oxopropyl)-3-{3-[(diaminomethylene)amino]propyl}-6-[(1R)-1-hydroxyethyl]-21-[(1S)-1-hydroxyethyl]-18-isobutyl-7, 25-dimethyl-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-24-yl}amino)-1-oxo-2-buten-2-yl]tetradecanamide

More details:

• Systematic name

  (3R)-3-(alpha-L-Allopyranosyloxy)-N-[(2Z)-1-({(3S,6R,12R,18S,21R,24R,25S)-12-(3-amino-3-oxopropyl)-3-{3-[(diaminomethylene)amino]propyl}-6-[(1R)-1-hydroxyethyl]-21-[(1S)-1-hydroxyethyl]-18-isobutyl-7, 25-dimethyl-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-24-yl}amino)-1-oxo-2-buten-2-yl]tetradecanamide

• SMILES

  CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@H](NC(=O)/C(=C/C)/NC(=O)C[C@@H](CCCCCCCCCCC)O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](C)OC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]([C@@H](C)O)N(C)C(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)CNC1=O)[C@H](C)O

• Std. InChi

  InChI=1S/C58H101N13O20/c1-9-11-12-13-14-15-16-17-18-20-34(90-57-49(81)48(80)47(79)39(29-72)91-57)26-41(76)65-35(10-2)52(84)70-45-33(7)89-56(88)37(21-19-24-62-58(60)61)67-55(87)46(32(6)74)71(8)43(78)28-64-50(82)36(22-23-40(59)75)66-42(77)27-63-51(83)38(25-30(3)4)68-53(85)44(31(5)73)69-54(45)86/h10,30-34,36-39,44-49,57,72-74,79-81H,9,11-29H2,1-8H3,(H2,59,75)(H,63,83)(H,64,82)(H,65,76)(H,66,77)(H,67,87)(H,68,85)(H,69,86)(H,70,84)(H4,60,61,62)/b35-10-/t31-,32+,33-,34+,36+,37-,38-,39-,44+,45+,46+,47-,48-,49-,57+/m0/s1

• Std. InChIKey

  GMKUYPOKOFFZTR-LCYRERJWSA-N

• Cite this record

  CSID:78443106, http://www.chemspider.com/Chemical-Structure.78443106.html (accessed 05:04, Jun 16, 2024)