N-[(1S,2R)-1-[[2-[[(1S)-2-[[(3S,6S,9S,12S)-3,6-bis(3-amino-3-oxo-propyl)-9-(3H-imidazol-4-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]-11-methyl-dodecanamide

More details:

• Systematic name

  N-[(1S,2R)-1-[[2-[[(1S)-2-[[(3S,6S,9S,12S)-3,6-bis(3-amino-3-oxo-propyl)-9-(3H-imidazol-4-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]-11-methyl-dodecanamide

• SMILES

  O=C(N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)OC1)CCC(=O)N)CCC(=O)N)Cc2cncn2)C)[C@H](O)C)CCCCCCCCCC(C)C

• Std. InChi

  InChI=1S/C41H67N11O12/c1-23(2)12-10-8-6-5-7-9-11-13-33(56)52-35(25(4)53)40(62)45-20-34(57)47-24(3)36(58)51-30-21-64-41(63)28(15-17-32(43)55)49-37(59)27(14-16-31(42)54)48-38(60)29(50-39(30)61)18-26-19-44-22-46-26/h19,22-25,27-30,35,53H,5-18,20-21H2,1-4H3,(H2,42,54)(H2,43,55)(H,44,46)(H,45,62)(H,47,57)(H,48,60)(H,49,59)(H,50,61)(H,51,58)(H,52,56)/t24-,25+,27-,28-,29-,30-,35-/m0/s1

• Std. InChIKey

  GIRIPBPYVQTCFF-MOIAAXNJSA-N

• Cite this record

  CSID:8709153, http://www.chemspider.com/Chemical-Structure.8709153.html (accessed 02:41, Jul 2, 2024)