(7S,13S,16S,19S)-7-{[(Benzyloxy)carbonyl](methyl)amino}-27-hydroxy-19-isopropyl-16-methyl-8,14,17,20-tetraoxo-2,9,15,18,21-pentaaza-4-azoniatetracyclo[22.3.1.1^2,5.0^9,13]nonacosa-1(28),3,5(29),24,2 6-pentaene trifluoroacetate - (methylsulfinyl)methane hydrate (1:1:1:3)

More details:

• Systematic name

  (7S,13S,16S,19S)-7-{[(Benzyloxy)carbonyl](methyl)amino}-27-hydroxy-19-isopropyl-16-methyl-8,14,17,20-tetraoxo-2,9,15,18,21-pentaaza-4-azoniatetracyclo[22.3.1.1~2,5~.0~9,13~]nonacosa-1(28),3,5(29),24,2 6-pentaene trifluoroacetate - (methylsulfinyl)methane hydrate (1:1:1:3)

• SMILES

  C[C@H]1C(=O)N[C@H](C(=O)NCCc2ccc(c(c2)-n3cc([nH+]c3)C[C@@H](C(=O)N4CCC[C@H]4C(=O)N1)N(C)C(=O)OCc5ccccc5)O)C(C)C.CS(=O)C.C(=O)(C(F)(F)F)[O-].O.O.O

• Std. InChi

  InChI=1S/C36H45N7O7.C2HF3O2.C2H6OS.3H2O/c1-22(2)31-34(47)37-15-14-24-12-13-30(44)28(17-24)42-19-26(38-21-42)18-29(41(4)36(49)50-20-25-9-6-5-7-10-25)35(48)43-16-8-11-27(43)33(46)39-23(3)32(45)40-31;3-2(4,5)1(6)7;1-4(2)3;;;/h5-7,9-10,12-13,17,19,21-23,27,29,31,44H,8,11,14-16,18,20H2,1-4H3,(H,37,47)(H,39,46)(H,40,45);(H,6,7);1-2H3;3*1H2/t23-,27-,29-,31-;;;;;/m0...../s1

• Std. InChIKey

  DDVTUIZUSJNWBB-YEYOJSPNSA-N

• Cite this record

  CSID:30659064, http://www.chemspider.com/Chemical-Structure.30659064.html (accessed 12:24, Jul 3, 2024)