L-Tyrosyl-L-seryl-N-{(3S,6S,9S,12S,15R)-9-benzyl-6-[(2S)-2-butanyl]-12-(carboxymethyl)-3-[2-(methylsulfanyl)ethyl]-2,5,8,11,14-pentaoxo-1-thia-4,7,10,13-tetraazacyclohexadecan-15-yl}-L-threoninamide

More details:

• Systematic name

  L-Tyrosyl-L-seryl-N-{(3S,6S,9S,12S,15R)-9-benzyl-6-[(2S)-2-butanyl]-12-(carboxymethyl)-3-[2-(methylsulfanyl)ethyl]-2,5,8,11,14-pentaoxo-1-thia-4,7,10,13-tetraazacyclohexadecan-15-yl}-L-threoninamide

• SMILES

  CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)SC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)CCSC

• Std. InChi

  InChI=1S/C43H60N8O13S2/c1-5-22(2)34-41(62)45-28(15-16-65-4)43(64)66-21-32(40(61)47-30(19-33(55)56)37(58)46-29(38(59)50-34)18-24-9-7-6-8-10-24)49-42(63)35(23(3)53)51-39(60)31(20-52)48-36(57)27(44)17-25-11-13-26(54)14-12-25/h6-14,22-23,27-32,34-35,52-54H,5,15-21,44H2,1-4H3,(H,45,62)(H,46,58)(H,47,61)(H,48,57)(H,49,63)(H,50,59)(H,51,60)(H,55,56)/t22-,23+,27-,28-,29-,30-,31-,32-,34-,35-/m0/s1

• Std. InChIKey

  QPIROHVZMLYRNN-YRNJLPRFSA-N

• Cite this record

  CSID:8482196, http://www.chemspider.com/Chemical-Structure.8482196.html (accessed 22:06, May 19, 2024)