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[3-METHYLTHIO-D-ALANYL(8)]-CYCLOSPORIN-A

Compound with spectra: 1 NMR

[3-METHYLTHIO-D-ALANYL(8)]-CYCLOSPORIN-A
SpectraBase Compound ID D4oGozRWkB5
InChI InChI=1S/C63H113N11O12S/c1-25-27-28-41(15)53(76)52-57(80)65-43(26-2)58(81)68(17)33-49(75)69(18)45(29-35(3)4)56(79)67-50(39(11)12)62(85)70(19)46(30-36(5)6)55(78)64-42(16)54(77)66-44(34-87-24)59(82)71(20)47(31-37(7)8)60(83)72(21)48(32-38(9)10)61(84)73(22)51(40(13)14)63(86)74(52)23/h25,27,35-48,50-53,76H,26,28-34H2,1-24H3,(H,64,78)(H,65,80)(H,66,77)(H,67,79)/b27-25+/t41-,42+,43-,44+,45+,46-,47+,48+,50+,51-,52+,53-/m1/s1
InChIKey LBPQJMPNPNIPMW-FZDAIUOXSA-N
Mol Weight 1248.7 g/mol
Molecular Formula C63H113N11O12S
Exact Mass 1247.829089 g/mol
Enantiomer InChIKey LBPQJMPNPNIPMW-IWBYGADVSA-N

View Spectrum of [3-METHYLTHIO-D-ALANYL(8)]-CYCLOSPORIN-A

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C6D6
CYCLO-[-MEBMT-(1)-ABU-(2)-SAR-(3)-MELEU-(4)-VAL-(5)-MELEU-(6)-ALA-(7)-D-ALA-(8)-MELEU-(9)-MENVA-(10)-MEVAL-(11)-]
SCH-218157
CLONOSTACHYSIN-B
CLONOSTACHYCSIN-A
DOLASTATIN-G
TUNICYCLIN_D;CYCLO-(L-PRO-(A)-L-PRO-(B)-L-TRP-L-HIS-GLY-L-VAL-L-ASN-L-ILE)
PLEOFUNGIN-A
DEOXY-MULUNDOCANDIN
DOLASTATIN-16
1;MOLLAMIDE;(2S,8S,11S,14S,17S,23S,26S)-8-BENZYL-11-(1,1-DIMETHYLPROP-2-ENYLOXYETHYL)-14,23-DI-[(1S)-METHYLPROPYL]-28-THIA-6,9,12,15,21,24,29-HEPTAAZATETRACYCL
Title Journal or Book Year
Analogs of cyclosporin A modified at the D-Ala8 position. The Journal of Antibiotics 1992
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