OMIGANAN PENTAHYDROCHLORIDE

269062-93-3

MFCD16660770

C90 H127 N27 O12 . 5 Cl H

1961.47

InChI=1S/C90H127N27O12.5ClH/c1-5-51(4)75(92)85(127)113-68(41-50(2)3)80(122)109-67(32-18-38-102-90(98)99)79(121)114-71(44-54-48-105-62-27-12-8-23-58(54)62)86(128)116-39-19-34-74(116)84(126)112-70(43-53-47-104-61-26-11-7-22-57(53)61)82(124)115-72(45-55-49-106-63-28-13-9-24-59(55)63)87(129)117-40-20-33-73(117)83(125)111-69(42-52-46-103-60-25-10-6-21-56(52)60)81(123)110-66(31-17-37-101-89(96)97)78(120)108-65(30-16-36-100-88(94)95)77(119)107-64(76(93)118)29-14-15-35-91;;;;;/h6-13,21-28,46-51,64-75,103-106H,5,14-20,29-45,91-92H2,1-4H3,(H2,93,118)(H,107,119)(H,108,120)(H,109,122)(H,110,123)(H,111,125)(H,112,126)(H,113,127)(H,114,121)(H,115,124)(H4,94,95,100)(H4,96,97,101)(H4,98,99,102);5*1H/t51-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-;;;;;/m0...../s1

InChIKey=WTNSIKUBZJCPLJ-IQOWARLESA-N

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N[C@@H](Cc6c[nH]c7c6cccc7)C(=O)N8CCC[C@H]8C(=O)N[C@@H](Cc9c[nH]c1c9cccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N)N.Cl.Cl.Cl.Cl.Cl

H bond donor:25

H bond acceptor:39

XLogP3:-11.0

Bulk/Fine:F