(2S,4S)-N-{(2S,15S,18S,24R,27R,29R,31S)-1-(Dimethylnitroryl)-31-hydroxy-24-[(1R)-1-hydroxy-2-methylpropyl]-15,18-diisobutyl-2,9,9,12,12,21,21,29-octamethyl-4,8,11,14,17,20,23,26,33-nonaoxo-3,7,10,13,1 6,19,22,25-octaazapentatriacontan-27-yl}-4-methyl-1-[(2E,4R)-4-methyl-2-hexenoyl]-2-pyrrolidinecarboxamide (non-preferred name)

More details:

• Systematic name

  (2S,4S)-N-{(2S,15S,18S,24R,27R,29R,31S)-1-(Dimethylnitroryl)-31-hydroxy-24-[(1R)-1-hydroxy-2-methylpropyl]-15,18-diisobutyl-2,9,9,12,12,21,21,29-octamethyl-4,8,11,14,17,20,23,26,33-nonaoxo-3,7,10,13,1 6,19,22,25-octaazapentatriacontan-27-yl}-4-methyl-1-[(2E,4R)-4-methyl-2-hexenoyl]-2-pyrrolidinecarboxamide (non-preferred name)

• SMILES

  C[C@@H](C[N+](C)(C)[O-])NC(=O)CCNC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@H](NC(=O)[C@@H](C[C@@H](C)C[C@H](O)CC(=O)CC)NC(=O)[C@@H]1C[C@H](C)CN1C(=O)/C=C/[C@H](C)CC)[C@H](O)C(C)C

• Std. InChi

  InChI=1S/C62H111N11O14/c1-21-38(9)23-24-49(77)72-33-40(11)31-47(72)55(82)66-46(30-39(10)29-43(75)32-42(74)22-2)53(80)68-50(51(78)37(7)8)56(83)70-61(15,16)58(85)67-44(27-35(3)4)52(79)65-45(28-36(5)6)54(81)69-62(17,18)59(86)71-60(13,14)57(84)63-26-25-48(76)64-41(12)34-73(19,20)87/h23-24,35-41,43-47,50-51,75,78H,21-22,25-34H2,1-20H3,(H,63,84)(H,64,76)(H,65,79)(H,66,82)(H,67,85)(H,68,80)(H,69,81)(H,70,83)(H,71,86)/b24-23+/t38-,39+,40+,41+,43+,44+,45+,46-,47+,50-,51-/m1/s1

• Std. InChIKey

  QAJHIWCONAFMCM-VYJAXEQZSA-N

• Cite this record

  CSID:78442995, http://www.chemspider.com/Chemical-Structure.78442995.html (accessed 18:39, May 21, 2024)