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(2S)-N2-[(2S)-N-[(1S,3R,9S,12R,15S)-3,12-DIMETHYL-4,10,13-TRIOXO-2-THIA-5,11,14-TRIAZATRICYCLO-[12.2.1.0(5,9)]-HEPTADECAN-15-YLCARBONYL]-ALANYL]-P
SpectraBase Compound ID DCVlZzHOrgH
InChI InChI=1S/C29H40N6O6S/c1-16(24(36)33-21(25(37)30-4)13-19-9-6-5-7-10-19)31-27(39)23-14-20-15-35(23)28(40)17(2)32-26(38)22-11-8-12-34(22)29(41)18(3)42-20/h5-7,9-10,16-18,20-23H,8,11-15H2,1-4H3,(H,30,37)(H,31,39)(H,32,38)(H,33,36)/t16-,17-,18+,20?,21+,22-,23?/m0/s1
InChIKey GKBMMVDBOPQWCU-ILHQKEFLSA-N
Mol Weight 600.7 g/mol
Molecular Formula C29H40N6O6S
Exact Mass 600.273004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kn90HeI2JP1
Name (2S)-N2-[(2S)-N-[(1S,3R,9S,12R,15S)-3,12-DIMETHYL-4,10,13-TRIOXO-2-THIA-5,11,14-TRIAZATRICYCLO-[12.2.1.0(5,9)]-HEPTADECAN-15-YLCARBONYL]-ALANYL]-P
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H40N6O6S
InChI InChI=1S/C29H40N6O6S/c1-16(24(36)33-21(25(37)30-4)13-19-9-6-5-7-10-19)31-27(39)23-14-20-15-35(23)28(40)17(2)32-26(38)22-11-8-12-34(22)29(41)18(3)42-20/h5-7,9-10,16-18,20-23H,8,11-15H2,1-4H3,(H,30,37)(H,31,39)(H,32,38)(H,33,36)/t16-,17-,18+,20?,21+,22-,23?/m0/s1
InChIKey GKBMMVDBOPQWCU-ILHQKEFLSA-N
Literature Reference Author A.LEWIS,T.J.RUTHERFORD,J.WILKIE,T.JENN,D.GANI
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3795(1998)
Literature Reference DOI 10.1039/a806032k
Molecular Weight 600.733 g/mol
Solvent CDCl3
Source File Reference UWCP9251