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Diethyl N-N-((2-(pivaloylamino)-3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-6-yl)methyl)-4-(aminomethyl)benzoyl]glutamate

View entire compound with spectra: 1 MS (GC)

Diethyl N-N-((2-(pivaloylamino)-3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-6-yl)methyl)-4-(aminomethyl)benzoyl]glutamate
SpectraBase Compound ID AqvdUFRojvt
InChI InChI=1S/C30H38N6O7/c1-6-42-23(37)13-12-22(27(40)43-7-2)33-25(38)20-10-8-18(9-11-20)15-31-16-19-14-21-24(32-17-19)34-29(35-26(21)39)36-28(41)30(3,4)5/h8-11,14,17,22,31H,6-7,12-13,15-16H2,1-5H3,(H,33,38)(H2,32,34,35,36,39,41)/t22-/m0/s1
InChIKey SGCXKADTUBILQW-QFIPXVFZSA-N
Mol Weight 594.7 g/mol
Molecular Formula C30H38N6O7
Exact Mass 594.280198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AqGVwal34Th
Name Diethyl N-N-((2-(pivaloylamino)-3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-6-yl)methyl)-4-(aminomethyl)benzoyl]glutamate
Alternate Name(s) (S)-Diethyl N-N-((2-(pivaloylamino)-3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-6-yl)methyl)-4-(aminomethyl)benzoyl]glutamate 2-[[4-[[[4-keto-2-(pivaloylamino)-1H-pyrido[2,3-d]pyrimidin-6-yl]methylamino]methyl]benzoyl]amino]glutaric acid diethyl ester 2-[[[4-[[[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl]methylamino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester Diethyl 2-[(4-{[({2-[(2,2-dimethylpropanoyl)amino]-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-6-yl}methyl)amino]methyl}benzoyl)amino]pentanedioate Diethyl 2-[[4-[[[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl]methylamino]methyl]phenyl]carbonylamino]pentanedioate Diethyl 2-[[4-[[[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl]methylamino]methyl]benzoyl]amino]pentanedioate (2S)-2-[[[4-[[[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl]methylamino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester Diethyl (2S)-2-[[4-[[[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl]methylamino]methyl]benzoyl]amino]pentanedioate Diethyl (2S)-2-[[4-[[[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl]methylamino]methyl]phenyl]carbonylamino]pentanedioate
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Formula C30H38N6O7
InChI InChI=1S/C30H38N6O7/c1-6-42-23(37)13-12-22(27(40)43-7-2)33-25(38)20-10-8-18(9-11-20)15-31-16-19-14-21-24(32-17-19)34-29(35-26(21)39)36-28(41)30(3,4)5/h8-11,14,17,22,31H,6-7,12-13,15-16H2,1-5H3,(H,33,38)(H2,32,34,35,36,39,41)/t22-/m0/s1
InChIKey SGCXKADTUBILQW-QFIPXVFZSA-N
Molecular Weight 594.669 g/mol
SMILES N1C(c2cc(cnc2N=C1NC(C(C)(C)C)=O)CNCc1ccc(C(N[C@](C(=O)OCC)(CCC(=O)OCC)[H])=O)cc1)=O
SPLASH splash10-0019-1953080000-ce5b461926379e7b74fd
Source of Spectrum J-59-7095-14
Wiley ID 1409619