CYCLO-[BETA-D-DAP-(CYTOSIN-1-YLACETYL)-L-ALA-L-CYS-L-VAL-BETA-D-DAP-(THYMIN-1-YLACETYL)-L-ALA-L-CYS-L-VAL]-DISULFIDE

SpectraBase Compound ID	5uf1DXORoir
InChI	InChI=1S/C41H59N15O13S2/c1-17(2)29-38(66)43-10-22(47-27(57)13-55-9-8-26(42)51-40(55)68)34(62)45-20(6)32(60)49-24-15-70-71-16-25(36(64)52-29)50-33(61)21(7)46-35(63)23(11-44-39(67)30(18(3)4)53-37(24)65)48-28(58)14-56-12-19(5)31(59)54-41(56)69/h8-9,12,17-18,20-25,29-30H,10-11,13-16H2,1-7H3,(H,43,66)(H,44,67)(H,45,62)(H,46,63)(H,47,57)(H,48,58)(H,49,60)(H,50,61)(H,52,64)(H,53,65)(H2,42,51,68)(H,54,59,69)/t20-,21-,22+,23+,24-,25-,29-,30-/m0/s1
InChIKey	CCLQVDGGYLDDHT-FBOHKEOSSA-N Google Search
Mol Weight	1034.1 g/mol
Molecular Formula	C41H59N15O13S2
Exact Mass	1033.385819 g/mol

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SpectraBase Spectrum ID	E4wRKRrb3pv
Name	CYCLO-[BETA-D-DAP-(CYTOSIN-1-YLACETYL)-L-ALA-L-CYS-L-VAL-BETA-D-DAP-(THYMIN-1-YLACETYL)-L-ALA-L-CYS-L-VAL]-DISULFIDE
Compound Number	13
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C41H59N15O13S2
InChI	InChI=1S/C41H59N15O13S2/c1-17(2)29-38(66)43-10-22(47-27(57)13-55-9-8-26(42)51-40(55)68)34(62)45-20(6)32(60)49-24-15-70-71-16-25(36(64)52-29)50-33(61)21(7)46-35(63)23(11-44-39(67)30(18(3)4)53-37(24)65)48-28(58)14-56-12-19(5)31(59)54-41(56)69/h8-9,12,17-18,20-25,29-30H,10-11,13-16H2,1-7H3,(H,43,66)(H,44,67)(H,45,62)(H,46,63)(H,47,57)(H,48,58)(H,49,60)(H,50,61)(H,52,64)(H,53,65)(H2,42,51,68)(H,54,59,69)/t20-,21-,22+,23+,24-,25-,29-,30-/m0/s1
InChIKey	CCLQVDGGYLDDHT-FBOHKEOSSA-N
Literature Reference Author	B.DIETRICH,U.DIEDERICHSEN
Literature Reference Citation	EUR.J.ORG.CHEM.,147(2005)
Literature Reference DOI	10.1002/ejoc.200400548
Molecular Weight	1034.132 g/mol
Sample ID	42256
Solvent	DMSO-D6