N-(11-Methyldodecanoyl)threonylglycyl-N-[3,6-bis(3-amino-3-oxopropyl)-9-(1H-imidazol-2-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridecan-12-yl]alaninamide

More details:

• Systematic name

  N-(11-Methyldodecanoyl)threonylglycyl-N-[3,6-bis(3-amino-3-oxopropyl)-9-(1H-imidazol-2-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridecan-12-yl]alaninamide

• SMILES

  CC(C)CCCCCCCCCC(=O)NC(C(C)O)C(=O)NCC(=O)NC(C)C(=O)NC1COC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CC2NC=CN=2)NC1=O

• 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)46-21-34(57)47-24(3)36(58)51-29-22-64-41(63)27(15-17-31(43)55)49-37(59)26(14-16-30(42)54)48-38(60)28(50-39(29)61)20-32-44-18-19-45-32/h18-19,23-29,35,53H,5-17,20-22H2,1-4H3,(H2,42,54)(H2,43,55)(H,44,45)(H,46,62)(H,47,57)(H,48,60)(H,49,59)(H,50,61)(H,51,58)(H,52,56)

• Std. InChIKey

  HDSHTQMHVLVTSB-UHFFFAOYSA-N

• Cite this record

  CSID:78444302, http://www.chemspider.com/Chemical-Structure.78444302.html (accessed 12:50, Jun 27, 2024)