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Diethyl 2-[2,3-dihydro-4-[2-[2-(pivaloylamino)-4(3H)-oxopyrido[2,3-d]pyrimidin-6-yl]ethynyl]-1-oxo-2(1H)-isoindolyl]-L-glutarate
SpectraBase Compound ID LSUGvaQlLek
InChI InChI=1S/C31H33N5O7/c1-6-42-24(37)14-13-23(28(40)43-7-2)36-17-22-19(9-8-10-20(22)27(36)39)12-11-18-15-21-25(32-16-18)33-30(34-26(21)38)35-29(41)31(3,4)5/h8-10,15-16,23H,6-7,13-14,17H2,1-5H3,(H2,32,33,34,35,38,41)
InChIKey GYVNYFTYPSJTCM-UHFFFAOYSA-N
Mol Weight 587.6 g/mol
Molecular Formula C31H33N5O7
Exact Mass 587.237998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFeQas4zVKb
Name Diethyl 2-[2,3-dihydro-4-[2-[2-(pivaloylamino)-4(3H)-oxopyrido[2,3-d]pyrimidin-6-yl]ethynyl]-1-oxo-2(1H)-isoindolyl]-L-glutarate
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Formula C31H33N5O7
InChI InChI=1S/C31H33N5O7/c1-6-42-24(37)14-13-23(28(40)43-7-2)36-17-22-19(9-8-10-20(22)27(36)39)12-11-18-15-21-25(32-16-18)33-30(34-26(21)38)35-29(41)31(3,4)5/h8-10,15-16,23H,6-7,13-14,17H2,1-5H3,(H2,32,33,34,35,38,41)
InChIKey GYVNYFTYPSJTCM-UHFFFAOYSA-N
Molecular Weight 587.633 g/mol
SMILES N1C(=Nc2ncc(cc2C1=O)C#Cc1c2CN(C(c2ccc1)=O)C(C(=O)OCC)CCC(=O)OCC)NC(C(C)(C)C)=O
SPLASH splash10-0006-0900340000-a54432e6c670020312fe
Source of Spectrum J-62-5399-0
Synonyms Diethyl 2-[4-({2-[(2,2-dimethylpropanoyl)amino]-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-6-yl}ethynyl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]pentanedioate
Wiley ID 1409112