John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=BQIkeDM522g

(accessed ).
PHAKELLISTATIN_16;CYCLO-(PRO-PHE-ASP-SER-ARG-ALA-VAL-THR-TYR);MAJOR_ISOMER
SpectraBase Compound ID BQIkeDM522g
InChI InChI=1S/C48H68N12O14/c1-24(2)37-45(72)59-38(26(4)62)46(73)56-33(21-28-14-16-29(63)17-15-28)47(74)60-19-9-13-35(60)44(71)55-31(20-27-10-6-5-7-11-27)41(68)54-32(22-36(64)65)42(69)57-34(23-61)43(70)53-30(12-8-18-51-48(49)50)40(67)52-25(3)39(66)58-37/h5-7,10-11,14-17,24-26,30-35,37-38,61-63H,8-9,12-13,18-23H2,1-4H3,(H,52,67)(H,53,70)(H,54,68)(H,55,71)(H,56,73)(H,57,69)(H,58,66)(H,59,72)(H,64,65)(H4,49,50,51)/t25-,26?,30-,31-,32-,33-,34-,35-,37-,38-/m0/s1
InChIKey HWZJEQDZVPMMCZ-AEOBKWRRSA-N
Mol Weight 1037.1 g/mol
Molecular Formula C48H68N12O14
Exact Mass 1036.497796 g/mol
Enantiomer InChIKey HWZJEQDZVPMMCZ-WAAJHLJKSA-N
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