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(2S)-N2-(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)-PHENYLALANINE-METH
SpectraBase Compound ID 9RuZdvb8xo8
InChI InChI=1S/C26H35N5O5S/c1-15-25(35)31-14-18(37-16(2)26(36)30-11-7-10-20(30)23(33)28-15)13-21(31)24(34)29-19(22(32)27-3)12-17-8-5-4-6-9-17/h4-6,8-9,15-16,18-21H,7,10-14H2,1-3H3,(H,27,32)(H,28,33)(H,29,34)/t15-,16+,18?,19+,20-,21?/m0/s1
InChIKey TXEGCINHEHLLDP-VKQJHHAPSA-N
Mol Weight 529.7 g/mol
Molecular Formula C26H35N5O5S
Exact Mass 529.23589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 31eGJu2btuw
Name (2S)-N2-(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)-PHENYLALANINE-METH
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H35N5O5S
InChI InChI=1S/C26H35N5O5S/c1-15-25(35)31-14-18(37-16(2)26(36)30-11-7-10-20(30)23(33)28-15)13-21(31)24(34)29-19(22(32)27-3)12-17-8-5-4-6-9-17/h4-6,8-9,15-16,18-21H,7,10-14H2,1-3H3,(H,27,32)(H,28,33)(H,29,34)/t15-,16+,18?,19+,20-,21?/m0/s1
InChIKey TXEGCINHEHLLDP-VKQJHHAPSA-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 529.654 g/mol
Solvent CDCl3
Source File Reference UWCP9249