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Dimethyl 4-[3-(2-Pivaloylamino-4(3H)-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,1-dimethyl-1-silapropyl]benzoyl-L-glutamate
SpectraBase Compound ID KnSTNBS0q3D
InChI InChI=1S/C29H39N5O7Si/c1-29(2,3)27(39)34-28-32-23-22(25(37)33-28)18(16-30-23)14-15-42(6,7)19-10-8-17(9-11-19)24(36)31-20(26(38)41-5)12-13-21(35)40-4/h8-11,16,20H,12-15H2,1-7H3,(H,31,36)(H3,30,32,33,34,37,39)
InChIKey ZHFNQIZFMKWPHP-UHFFFAOYSA-N
Mol Weight 597.7 g/mol
Molecular Formula C29H39N5O7Si
Exact Mass 597.261875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPHrbpOVid0
Name Dimethyl 4-[3-(2-Pivaloylamino-4(3H)-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,1-dimethyl-1-silapropyl]benzoyl-L-glutamate
Alternate Name(s) Dimethyl 2-({4-[(2-{2-[(2,2-dimethylpropanoyl)amino]-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)(dimethyl)silyl]benzoyl}amino)pentanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H39N5O7Si
InChI InChI=1S/C29H39N5O7Si/c1-29(2,3)27(39)34-28-32-23-22(25(37)33-28)18(16-30-23)14-15-42(6,7)19-10-8-17(9-11-19)24(36)31-20(26(38)41-5)12-13-21(35)40-4/h8-11,16,20H,12-15H2,1-7H3,(H,31,36)(H3,30,32,33,34,37,39)
InChIKey ZHFNQIZFMKWPHP-UHFFFAOYSA-N
Molecular Weight 597.744 g/mol
SMILES N(C1=Nc2c(c(CC[Si](c3ccc(C(NC(C(=O)OC)CCC(=O)OC)=O)cc3)(C)C)c[nH]2)C(N1)=O)C(C(C)(C)C)=O
SPLASH splash10-014i-0029040000-f49fa785ac738cf5f16f
Source of Spectrum F-55-1637-22
Wiley ID 836756