(2S,5S,8S,14S,17S,20S)-2,14-Dibenzyl-17-(hydroxymethyl)-8-isobutyl-5-[3-(N'-methylcarbamimidamido)propyl]-4,7,10,13,16,19-hexaoxo-20-{[3-(4-pyridinyl)propanoyl]amino}-3,6,9,11,12,15,18-heptaazadocosan e-1,22-diamide (non-preferred name)

More details:

• Systematic name

  (2S,5S,8S,14S,17S,20S)-2,14-Dibenzyl-17-(hydroxymethyl)-8-isobutyl-5-[3-(N'-methylcarbamimidamido)propyl]-4,7,10,13,16,19-hexaoxo-20-{[3-(4-pyridinyl)propanoyl]amino}-3,6,9,11,12,15,18-heptaazadocosan e-1,22-diamide (non-preferred name)

• SMILES

  CC(C)C[C@H](NC(=O)NNC(=O)[C@H](CC1C=CC=CC=1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)CCC1C=CN=CC=1)C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC1C=CC=CC=1)C(N)=O

• Std. InChi

  InChI=1S/C47H66N14O10/c1-28(2)23-34(42(67)55-32(15-10-20-53-46(50)51-3)41(66)56-33(40(49)65)24-30-11-6-4-7-12-30)59-47(71)61-60-45(70)35(25-31-13-8-5-9-14-31)57-44(69)37(27-62)58-43(68)36(26-38(48)63)54-39(64)17-16-29-18-21-52-22-19-29/h4-9,11-14,18-19,21-22,28,32-37,62H,10,15-17,20,23-27H2,1-3H3,(H2,48,63)(H2,49,65)(H,54,64)(H,55,67)(H,56,66)(H,57,69)(H,58,68)(H,60,70)(H3,50,51,53)(H2,59,61,71)/t32-,33-,34-,35-,36-,37-/m0/s1

• Std. InChIKey

  PZMQLGZEKMHLAI-DUGSHLAESA-N

• Cite this record

  CSID:128441742, http://www.chemspider.com/Chemical-Structure.128441742.html (accessed 05:15, May 3, 2024)