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BOC-PHE-CYS((O)ME)-ALA-OALL
SpectraBase Compound ID 3k1Xc7b8QTE
InChI InChI=1S/2C24H35N3O7S/c2*1-7-13-33-22(30)16(2)25-21(29)19(15-35(6)32)26-20(28)18(14-17-11-9-8-10-12-17)27-23(31)34-24(3,4)5/h2*7-12,16,18-19H,1,13-15H2,2-6H3,(H,25,29)(H,26,28)(H,27,31)/t2*16-,18?,19+,35?/m00/s1
InChIKey INSLDWWNJKYKKZ-LHUCZHLRSA-N
Mol Weight 1019.2 g/mol
Molecular Formula C48H70N6O14S2
Exact Mass 1018.439143 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GCwDvbhXUTH
Name BOC-PHE-CYS((O)ME)-ALA-OALL
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H70N6O14S2
InChI InChI=1S/2C24H35N3O7S/c2*1-7-13-33-22(30)16(2)25-21(29)19(15-35(6)32)26-20(28)18(14-17-11-9-8-10-12-17)27-23(31)34-24(3,4)5/h2*7-12,16,18-19H,1,13-15H2,2-6H3,(H,25,29)(H,26,28)(H,27,31)/t2*16-,18?,19+,35?/m00/s1
InChIKey INSLDWWNJKYKKZ-LHUCZHLRSA-N
Literature Reference Author M.MATTEUCCI,G.BHALAY,M.BRADLEY
Literature Reference Citation ORG.LETTERS,5,235(2003)
Literature Reference DOI 10.1021/ol026947i
Molecular Weight 1019.236 g/mol
Sample ID 48040
Solvent CDCl3