(3S,6S,9S,12S,15S,24S)-15-[(N-Acetyl-L-norleucyl)amino]-9-benzyl-6-(3-carbamimidamidopropyl)-12-(1H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotetra cosane-24-carboxamide

More details:

• Systematic name

  (3S,6S,9S,12S,15S,24S)-15-[[(2S)-2-acetamidohexanoyl]amino]-9-benzyl-6-(3-guanidinopropyl)-12-(1H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotetracosane-24-carboxamide

• SMILES

  CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc2c[nH]cn2)Cc3ccccc3)CCCNC(=N)N)Cc4c[nH]c5c4cccc5)C(=O)N)NC(=O)C

• Std. InChi

  InChI=1S/C51H71N15O9/c1-3-4-17-37(60-30(2)67)45(70)66-42-26-43(68)56-21-12-6-9-19-36(44(52)69)61-48(73)40(24-32-27-58-35-18-11-10-16-34(32)35)64-46(71)38(20-13-22-57-51(53)54)62-47(72)39(23-31-14-7-5-8-15-31)63-49(74)41(65-50(42)75)25-33-28-55-29-59-33/h5,7-8,10-11,14-16,18,27-29,36-42,58H,3-4,6,9,12-13,17,19-26H2,1-2H3,(H2,52,69)(H,55,59)(H,56,68)(H,60,67)(H,61,73)(H,62,72)(H,63,74)(H,64,71)(H,65,75)(H,66,70)(H4,53,54,57)/t36-,37-,38-,39-,40-,41-,42-/m0/s1

• Std. InChIKey

  ILTSJNSAHXKVSQ-FVMQRRFMSA-N

• Cite this record

  CSID:30846249, http://www.chemspider.com/Chemical-Structure.30846249.html (accessed 22:59, Apr 26, 2024)