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L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-[(E,E)-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE]-L-CYSTEINE-METHYLESTER
SpectraBase Compound ID L07ECUWa8EL
InChI InChI=1S/C45H70N6O8S2/c1-30(2)26-37(49-40(52)27-48-41(53)35(46)22-24-60-8)43(55)51-23-13-20-39(51)42(54)50-38(45(57)58-7)29-61-25-21-32(4)16-11-14-31(3)15-12-17-33(5)28-59-44(56)34-18-9-10-19-36(34)47-6/h9-10,14,17-19,21,30,35,37-39,47H,11-13,15-16,20,22-29,46H2,1-8H3,(H,48,53)(H,49,52)(H,50,54)/b31-14+,32-21+,33-17+/t35-,37-,38+,39-/m0/s1
InChIKey UTNBKXXRDUZUKP-NWZCECJJSA-N
Mol Weight 887.2 g/mol
Molecular Formula C45H70N6O8S2
Exact Mass 886.469656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8DN20Qc1hyr
Name L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-[(E,E)-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE]-L-CYSTEINE-METHYLESTER
Compound Number 22B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H70N6O8S2
InChI InChI=1S/C45H70N6O8S2/c1-30(2)26-37(49-40(52)27-48-41(53)35(46)22-24-60-8)43(55)51-23-13-20-39(51)42(54)50-38(45(57)58-7)29-61-25-21-32(4)16-11-14-31(3)15-12-17-33(5)28-59-44(56)34-18-9-10-19-36(34)47-6/h9-10,14,17-19,21,30,35,37-39,47H,11-13,15-16,20,22-29,46H2,1-8H3,(H,48,53)(H,49,52)(H,50,54)/b31-14+,32-21+,33-17+/t35-,37-,38+,39-/m0/s1
InChIKey UTNBKXXRDUZUKP-NWZCECJJSA-N
Literature Reference Author K.KUHN,D.J.OWEN,B.BADER,A.WITTINGHOFER,J.KUHLMANN,H.WALDMANN
Literature Reference Citation J.AM.CHEM.SOC.,123,1023(2001)
Literature Reference DOI 10.1021/ja002723o
Molecular Weight 887.206 g/mol
Solvent CDCl3
Source File Reference UWSI23424