N-{[(2S)-1-(N-{[trans-4-(Carbamimidamidomethyl)cyclohexyl]carbonyl}-3-cyclohexyl-L-alanyl)-2-azetidinyl]carbonyl}-D-tyrosyl-N⁶-carbamimidoyl-D-lysinamide

More details:

• Systematic name

  (2S)-N-[(1R)-2-[[(1R)-1-carbamoyl-5-guanidino-pentyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-1-[(2S)-3-cyclohexyl-2-[[4-(guanidinomethyl)cyclohexanecarbonyl]amino]propanoyl]azetidine-2-carboxamide

• SMILES

  c1c(ccc(c1)O)C[C@@H](NC(=O)[C@H]2N(CC2)C(=O)[C@@H](NC(=O)[C@H]3CC[C@@H](CC3)CNC(=N)N)CC4CCCCC4)C(=O)N[C@@H](C(=O)N)CCCCNC(=N)N

• Std. InChi

  InChI=1S/C38H61N11O6/c39-32(51)28(8-4-5-18-44-37(40)41)46-34(53)29(20-24-11-15-27(50)16-12-24)47-35(54)31-17-19-49(31)36(55)30(21-23-6-2-1-3-7-23)48-33(52)26-13-9-25(10-14-26)22-45-38(42)43/h11-12,15-16,23,25-26,28-31,50H,1-10,13-14,17-22H2,(H2,39,51)(H,46,53)(H,47,54)(H,48,52)(H4,40,41,44)(H4,42,43,45)/t25-,26-,28-,29-,30+,31+/m1/s1

• Std. InChIKey

  PCCHJIAHIWBHDQ-MXAFHECMSA-N

• Cite this record

  CSID:30844140, http://www.chemspider.com/Chemical-Structure.30844140.html (accessed 03:31, Apr 18, 2024)