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Dimethyl N-{4-[2-(2-(Pivaloylamino)-4(3H)-oxo-7-(ethoxycarbonyl)-7(H)-pyrrolo[2,3-d]pyrimidin-6-yl)ethynyl]benzoyl}-1-glutamate

View entire compound with spectra: 1 MS (GC)

Dimethyl N-{4-[2-(2-(Pivaloylamino)-4(3H)-oxo-7-(ethoxycarbonyl)-7(H)-pyrrolo[2,3-d]pyrimidin-6-yl)ethynyl]benzoyl}-1-glutamate
SpectraBase Compound ID 7assUCVFT9A
InChI InChI=1S/C30H33N5O9/c1-7-44-29(41)35-19(16-20-23(35)32-28(33-25(20)38)34-27(40)30(2,3)4)13-10-17-8-11-18(12-9-17)24(37)31-21(26(39)43-6)14-15-22(36)42-5/h8-9,11-12,16,21H,7,14-15H2,1-6H3,(H,31,37)(H2,32,33,34,38,40)/t21-/m0/s1
InChIKey QRESKTWCAQAIHY-NRFANRHFSA-N
Mol Weight 607.6 g/mol
Molecular Formula C30H33N5O9
Exact Mass 607.227828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6WUzPF9jAO
Name Dimethyl N-{4-[2-(2-(Pivaloylamino)-4(3H)-oxo-7-(ethoxycarbonyl)-7(H)-pyrrolo[2,3-d]pyrimidin-6-yl)ethynyl]benzoyl}-1-glutamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H33N5O9
InChI InChI=1S/C30H33N5O9/c1-7-44-29(41)35-19(16-20-23(35)32-28(33-25(20)38)34-27(40)30(2,3)4)13-10-17-8-11-18(12-9-17)24(37)31-21(26(39)43-6)14-15-22(36)42-5/h8-9,11-12,16,21H,7,14-15H2,1-6H3,(H,31,37)(H2,32,33,34,38,40)/t21-/m0/s1
InChIKey QRESKTWCAQAIHY-NRFANRHFSA-N
Molecular Weight 607.620 g/mol
SMILES N(C(c1ccc(C#Cc2[n](c3N=C(NC(c3c2)=O)NC(C(C)(C)C)=O)C(=O)OCC)cc1)=O)[C@](C(=O)OC)(CCC(=O)OC)[H]
SPLASH splash10-03fr-0022191000-6e38919a3fc76e65338c
Source of Spectrum J-61-1265-27
Synonyms (2S)-2-[[4-[2-[7-carbethoxy-4-keto-2-(pivaloylamino)-1H-pyrrolo[2,3-d]pyrimidin-6-yl]ethynyl]benzoyl]amino]glutaric acid dimethyl ester (2S)-2-[[[4-[2-[2-[(2,2-dimethyl-1-oxopropyl)amino]-7-ethoxycarbonyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-6-yl]ethynyl]phenyl]-oxomethyl]amino]pentanedioic acid dimethyl ester Dimethyl (2S)-2-[(4-{[2-[(2,2-dimethylpropanoyl)amino]-7-(ethoxycarbonyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl]ethynyl}benzoyl)amino]pentanedioate Dimethyl (2S)-2-[[4-[2-[2-(2,2-dimethylpropanoylamino)-7-ethoxycarbonyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidin-6-yl]ethynyl]phenyl]carbonylamino]pentanedioate Dimethyl (2S)-2-[[4-[2-[2-(2,2-dimethylpropanoylamino)-7-ethoxycarbonyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-6-yl]ethynyl]benzoyl]amino]pentanedioate
Wiley ID 1410664