(2S)-N-[(2S,5S,10S,13S,16S)-2-Carbamoyl-10-(cyclohexylmethyl)-9-hydroxy-13-(1H-imidazol-4-ylmethyl)-5-isobutyl-4,7,12,15-tetraoxo-1,17-diphenyl-3,6,11,14-tetraazaheptadecan-16-yl]-1-{(2S)-3-(1H-imidaz ol-4-yl)-2-[(3-methylbutanoyl)amino]propanoyl}-2-pyrrolidinecarboxamide

More details:

• Systematic name

  (2S)-N-[(2S,5S,10S,13S,16S)-2-Carbamoyl-10-(cyclohexylmethyl)-9-hydroxy-13-(1H-imidazol-4-ylmethyl)-5-isobutyl-4,7,12,15-tetraoxo-1,17-diphenyl-3,6,11,14-tetraazaheptadecan-16-yl]-1-{(2S)-3-(1H-imidaz ol-4-yl)-2-[(3-methylbutanoyl)amino]propanoyl}-2-pyrrolidinecarboxamide

• SMILES

  CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)CC([C@H](CC2CCCCC2)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]5CCCN5C(=O)[C@H](Cc6c[nH]cn6)NC(=O)CC(C)C)O

• Std. InChi

  InChI=1S/C57H80N12O9/c1-35(2)23-44(53(74)66-43(52(58)73)26-38-17-10-6-11-18-38)63-51(72)30-49(70)42(25-37-15-8-5-9-16-37)65-55(76)46(28-40-31-59-33-61-40)67-54(75)45(27-39-19-12-7-13-20-39)68-56(77)48-21-14-22-69(48)57(78)47(29-41-32-60-34-62-41)64-50(71)24-36(3)4/h6-7,10-13,17-20,31-37,42-49,70H,5,8-9,14-16,21-30H2,1-4H3,(H2,58,73)(H,59,61)(H,60,62)(H,63,72)(H,64,71)(H,65,76)(H,66,74)(H,67,75)(H,68,77)/t42-,43-,44-,45-,46-,47-,48-,49?/m0/s1

• Std. InChIKey

  ZOAVSRHEYNKAIW-MHNOLCRISA-N

• Cite this record

  CSID:28530600, http://www.chemspider.com/Chemical-Structure.28530600.html (accessed 06:01, Apr 27, 2024)