(3S,6S,9R,12S,15R,23S)-15-[(N-Acetyl-D-norleucyl)amino]-6-(3-carbamimidamidopropyl)-12-(1H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-9-(2-naphthylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaa zacyclotricosane-23-carboxamide

More details:

• Systematic name

  (3S,6S,9R,12S,15R,23S)-15-[(N-Acetyl-D-norleucyl)amino]-6-(3-carbamimidamidopropyl)-12-(1H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-9-(2-naphthylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaa zacyclotricosane-23-carboxamide

• SMILES

  CCCC[C@H](C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc2c[nH]cn2)Cc3ccc4ccccc4c3)CCCNC(=N)N)Cc5c[nH]c6c5cccc6)C(=O)N)NC(=O)C

• Std. InChi

  InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40+,41-,42+,43-,44-,45+/m0/s1

• Std. InChIKey

  GGYWLZFXFKFWKL-GLWNXGLNSA-N

• Cite this record

  CSID:28515289, http://www.chemspider.com/Chemical-Structure.28515289.html (accessed 10:27, Apr 25, 2024)