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Dimethyl N-[3-[[2-(Pivaloylamino)-4-oxo-3,4-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-4,5,6,7-tetrahydrobenzo[c]thienoyl)-L-glutamate

View entire compound with spectra: 1 MS (GC)

Dimethyl N-[3-[[2-(Pivaloylamino)-4-oxo-3,4-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-4,5,6,7-tetrahydrobenzo[c]thienoyl)-L-glutamate
SpectraBase Compound ID DZSPr3LDBDr
InChI InChI=1S/C30H33N5O7S/c1-30(2,3)28(40)35-29-33-24-19(25(37)34-29)14-16(15-31-24)10-12-21-17-8-6-7-9-18(17)23(43-21)26(38)32-20(27(39)42-5)11-13-22(36)41-4/h14-15,20H,6-9,11,13H2,1-5H3,(H,32,38)(H2,31,33,34,35,37,40)/t20-/m0/s1
InChIKey FVROJPCXTJZCHM-FQEVSTJZSA-N
Mol Weight 607.7 g/mol
Molecular Formula C30H33N5O7S
Exact Mass 607.21007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGruthwA1qp
Name Dimethyl N-[3-[[2-(Pivaloylamino)-4-oxo-3,4-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-4,5,6,7-tetrahydrobenzo[c]thienoyl)-L-glutamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H33N5O7S
InChI InChI=1S/C30H33N5O7S/c1-30(2,3)28(40)35-29-33-24-19(25(37)34-29)14-16(15-31-24)10-12-21-17-8-6-7-9-18(17)23(43-21)26(38)32-20(27(39)42-5)11-13-22(36)41-4/h14-15,20H,6-9,11,13H2,1-5H3,(H,32,38)(H2,31,33,34,35,37,40)/t20-/m0/s1
InChIKey FVROJPCXTJZCHM-FQEVSTJZSA-N
Molecular Weight 607.682 g/mol
SMILES N(C(c1sc(C#Cc2cnc3N=C(NC(c3c2)=O)NC(C(C)(C)C)=O)c2c1CCCC2)=O)[C@](C(=O)OC)(CCC(=O)OC)[H]
SPLASH splash10-01sr-0009862000-2eda6b870593549cc659
Source of Spectrum J-62-1602-10
Synonyms (2S)-2-[[3-[2-[4-keto-2-(pivaloylamino)-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-4,5,6,7-tetrahydroisobenzothiophene-1-carbonyl]amino]glutaric acid dimethyl ester (2S)-2-[[[3-[2-[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-4,5,6,7-tetrahydro-2-benzothiophen-1-yl]-oxomethyl]amino]pentanedioic acid dimethyl ester Dimethyl (2S)-2-({[3-({2-[(2,2-dimethylpropanoyl)amino]-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-6-yl}ethynyl)-4,5,6,7-tetrahydro-2-benzothien-1-yl]carbonyl}amino)pentanedioate Dimethyl (2S)-2-[[3-[2-[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-4,5,6,7-tetrahydro-2-benzothiophen-1-yl]carbonylamino]pentanedioate Dimethyl (2S)-2-[[3-[2-[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl]amino]pentanedioate
Wiley ID 1410663