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Diethyl 2-[2,3-dihydro-6-[2-[2-(pivaloylamino)-4(3H)-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]ethyl]-1-oxo-2(1H)-isoindolyl]-L-glutarate

View entire compound with spectra: 1 MS (GC)

Diethyl 2-[2,3-dihydro-6-[2-[2-(pivaloylamino)-4(3H)-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]ethyl]-1-oxo-2(1H)-isoindolyl]-L-glutarate
SpectraBase Compound ID Bp8g1pIsIon
InChI InChI=1S/C31H41N5O7/c1-6-42-24(37)13-12-23(28(40)43-7-2)36-17-20-11-10-18(14-21(20)27(36)39)8-9-19-15-22-25(32-16-19)33-30(34-26(22)38)35-29(41)31(3,4)5/h10-11,14,19,23H,6-9,12-13,15-17H2,1-5H3,(H3,32,33,34,35,38,41)
InChIKey ZJGVAOLRERSAIC-UHFFFAOYSA-N
Mol Weight 595.7 g/mol
Molecular Formula C31H41N5O7
Exact Mass 595.300599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Q4d7yz6i5J
Name Diethyl 2-[2,3-dihydro-6-[2-[2-(pivaloylamino)-4(3H)-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]ethyl]-1-oxo-2(1H)-isoindolyl]-L-glutarate
Alternate Name(s) Diethyl 2-[6-(2-{2-[(2,2-dimethylpropanoyl)amino]-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl}ethyl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]pentanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H41N5O7
InChI InChI=1S/C31H41N5O7/c1-6-42-24(37)13-12-23(28(40)43-7-2)36-17-20-11-10-18(14-21(20)27(36)39)8-9-19-15-22-25(32-16-19)33-30(34-26(22)38)35-29(41)31(3,4)5/h10-11,14,19,23H,6-9,12-13,15-17H2,1-5H3,(H3,32,33,34,35,38,41)
InChIKey ZJGVAOLRERSAIC-UHFFFAOYSA-N
Molecular Weight 595.697 g/mol
SMILES N1C(=NC=2NCC(CC2C1=O)CCc1cc2C(N(Cc2cc1)C(C(=O)OCC)CCC(=O)OCC)=O)NC(C(C)(C)C)=O
SPLASH splash10-0002-0020290000-bdcf0a9458c12669596b
Source of Spectrum J-62-5398-0
Wiley ID 1409738