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Diethyl N-N-((2-(pivaloylamino)-3,4-dihydro-4-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl)methyl)-10-formyl-4-(aminomethyl)benzoyl]glutamate
SpectraBase Compound ID KxyVVlOg7g7
InChI InChI=1S/C31H42N6O8/c1-6-44-24(39)13-12-23(28(42)45-7-2)33-26(40)21-10-8-19(9-11-21)16-37(18-38)17-20-14-22-25(32-15-20)34-30(35-27(22)41)36-29(43)31(3,4)5/h8-11,18,20,23H,6-7,12-17H2,1-5H3,(H,33,40)(H3,32,34,35,36,41,43)/t20?,23-/m0/s1
InChIKey GXLYQNYOQQSKNV-AKRCKQFNSA-N
Mol Weight 626.7 g/mol
Molecular Formula C31H42N6O8
Exact Mass 626.306412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5AJdzr9DKYR
Name Diethyl N-N-((2-(pivaloylamino)-3,4-dihydro-4-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl)methyl)-10-formyl-4-(aminomethyl)benzoyl]glutamate
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Formula C31H42N6O8
InChI InChI=1S/C31H42N6O8/c1-6-44-24(39)13-12-23(28(42)45-7-2)33-26(40)21-10-8-19(9-11-21)16-37(18-38)17-20-14-22-25(32-15-20)34-30(35-27(22)41)36-29(43)31(3,4)5/h8-11,18,20,23H,6-7,12-17H2,1-5H3,(H,33,40)(H3,32,34,35,36,41,43)/t20?,23-/m0/s1
InChIKey GXLYQNYOQQSKNV-AKRCKQFNSA-N
Molecular Weight 626.711 g/mol
SMILES N1CC(CC2=C1N=C(NC2=O)NC(C(C)(C)C)=O)CN(C=O)Cc1ccc(C(N[C@](C(=O)OCC)(CCC(=O)OCC)[H])=O)cc1
SPLASH splash10-0002-1290000000-be1e0f10537fdb0e5934
Source of Spectrum J-59-7095-15
Synonyms (2S)-2-[[[4-[[[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]methyl-formylamino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester Diethyl (2S)-2-[[4-[[[2-(2,2-dimethylpropanoylamino)-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]methyl-formylamino]methyl]benzoyl]amino]pentanedioate Diethyl (2S)-2-[[4-[[[2-(2,2-dimethylpropanoylamino)-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]methyl-formyl-amino]methyl]benzoyl]amino]pentanedioate Diethyl (2S)-2-[[4-[[[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]methyl-methanoyl-amino]methyl]phenyl]carbonylamino]pentanedioate
Wiley ID 1411871