3-[(2R,5S,8S,11R,14S,17S,20R,23S)-17-(Carboxymethyl)-8,11,20,23-tetraisobutyl-14-isopropyl-2-(11-methyldodecyl)-3,6,9,12,15,18,21,24-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclotetracosan-5-yl]propa noic acid

More details:

• Systematic name

  3-[(2R,5S,8S,11R,14S,17S,20R,23S)-17-(Carboxymethyl)-8,11,20,23-tetraisobutyl-14-isopropyl-2-(11-methyldodecyl)-3,6,9,12,15,18,21,24-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclotetracosan-5-yl]propa noic acid

• SMILES

  CC(C)CCCCCCCCCC[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O

• Std. InChi

  InChI=1S/C53H93N7O13/c1-30(2)21-19-17-15-13-14-16-18-20-22-42-51(70)54-36(23-24-43(61)62)46(65)55-37(25-31(3)4)47(66)57-39(27-33(7)8)50(69)60-45(35(11)12)52(71)58-40(29-44(63)64)49(68)56-38(26-32(5)6)48(67)59-41(28-34(9)10)53(72)73-42/h30-42,45H,13-29H2,1-12H3,(H,54,70)(H,55,65)(H,56,68)(H,57,66)(H,58,71)(H,59,67)(H,60,69)(H,61,62)(H,63,64)/t36-,37-,38+,39+,40-,41-,42+,45-/m0/s1

• Std. InChIKey

  MCIBIKGNEXKPGE-FOIMPGOESA-N

• Cite this record

  CSID:17347272, http://www.chemspider.com/Chemical-Structure.17347272.html (accessed 08:56, Apr 25, 2024)