Methyl N-{(2Z)-2-[(N-{(2Z)-2-[(1-formyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}tryptophyl)amino]-3-phenyl-2-propenoyl}-L-isoleucyl)amino]-3-phenyl-2-propenoyl}leucinate hydrate (1:1)

More details:

• Systematic name

  Methyl N-{(2Z)-2-[(N-{(2Z)-2-[(1-formyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}tryptophyl)amino]-3-phenyl-2-propenoyl}-L-isoleucyl)amino]-3-phenyl-2-propenoyl}leucinate hydrate (1:1)

• SMILES

  CC[C@@H]([C@H](NC(=O)/C(=C/c1ccccc1)/NC(=O)[C@H](NC(=O)OC(C)(C)C)Cc2c3c(n(c2)C=O)cccc3)C(=O)N/C(=C\c4ccccc4)/C(=O)N[C@H](C(=O)OC)C[C@@H](C)C)C.O

• Std. InChi

  InChI=1S/C48H58N6O9.H2O/c1-9-31(4)41(45(59)50-36(25-32-18-12-10-13-19-32)42(56)51-39(24-30(2)3)46(60)62-8)53-44(58)37(26-33-20-14-11-15-21-33)49-43(57)38(52-47(61)63-48(5,6)7)27-34-28-54(29-55)40-23-17-16-22-35(34)40;/h10-23,25-26,28-31,38-39,41H,9,24,27H2,1-8H3,(H,49,57)(H,50,59)(H,51,56)(H,52,61)(H,53,58);1H2/b36-25-,37-26-;/t31-,38+,39-,41-;/m0./s1

• Std. InChIKey

  DEJDZDYLMLAJCZ-GLNWCNAASA-N

• Cite this record

  CSID:30653809, http://www.chemspider.com/Chemical-Structure.30653809.html (accessed 18:12, Jun 5, 2024)