N²-Acetyl-N-[(3S,6S,9S,12R,15S,18S)-3-(4-aminobutyl)-12-benzyl-9-(3-carbamimidamidopropyl)-15-(1H-imidazol-4-ylmethyl)-6-(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16-hexaazacycloi cosan-18-yl]-L-norleucinamide

More details:

• Systematic name

  N~2~-Acetyl-N-[(3S,6S,9S,12R,15S,18S)-3-(4-aminobutyl)-12-benzyl-9-(3-carbamimidamidopropyl)-15-(1H-imidazol-4-ylmethyl)-6-(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16-hexaazacycloi cosan-18-yl]-L-norleucinamide

• SMILES

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

• Std. InChi

  InChI=1S/C50H69N15O9/c1-3-4-16-35(58-29(2)66)43(68)64-41-25-42(67)65-45(70)36(18-10-11-20-51)59-47(72)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(69)37(19-12-21-55-50(52)53)60-46(71)38(22-30-13-6-5-7-14-30)61-48(73)40(63-49(41)74)24-32-27-54-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25,51H2,1-2H3,(H,54,57)(H,58,66)(H,59,72)(H,60,71)(H,61,73)(H,62,69)(H,63,74)(H,64,68)(H4,52,53,55)(H,65,67,70)/t35-,36-,37-,38+,39-,40-,41-/m0/s1

• Std. InChIKey

  LXEXKGVAQWUHCI-MFVUMRCOSA-N

• Cite this record

  CSID:28513919, http://www.chemspider.com/Chemical-Structure.28513919.html (accessed 03:21, May 6, 2024)