N-(2,5-dimethyl-1-pyrrolyl)-2-[4-[[(2S,5S)-5-[[4-[2-[(2,5-dimethyl-1-pyrrolyl)amino]-2-oxoethoxy]phenyl]methyl]-3,6-dioxo-2-piperazinyl]methyl]phenoxy]acetamide

SpectraBase Compound ID	2UWcsqbPTn
InChI	InChI=1S/C34H38N6O6/c1-21-5-6-22(2)39(21)37-31(41)19-45-27-13-9-25(10-14-27)17-29-33(43)36-30(34(44)35-29)18-26-11-15-28(16-12-26)46-20-32(42)38-40-23(3)7-8-24(40)4/h5-16,29-30H,17-20H2,1-4H3,(H,35,44)(H,36,43)(H,37,41)(H,38,42)/t29-,30-/m0/s1
InChIKey	PVNQELSQOJLWFF-KYJUHHDHSA-N Google Search
Mol Weight	626.7 g/mol
Molecular Formula	C34H38N6O6
Exact Mass	626.285283 g/mol

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SpectraBase Spectrum ID	EGQSuad7oOG
Name	N-(2,5-dimethyl-1-pyrrolyl)-2-[4-[[(2S,5S)-5-[[4-[2-[(2,5-dimethyl-1-pyrrolyl)amino]-2-oxoethoxy]phenyl]methyl]-3,6-dioxo-2-piperazinyl]methyl]phenoxy]acetamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C34H38N6O6
InChI	InChI=1S/C34H38N6O6/c1-21-5-6-22(2)39(21)37-31(41)19-45-27-13-9-25(10-14-27)17-29-33(43)36-30(34(44)35-29)18-26-11-15-28(16-12-26)46-20-32(42)38-40-23(3)7-8-24(40)4/h5-16,29-30H,17-20H2,1-4H3,(H,35,44)(H,36,43)(H,37,41)(H,38,42)/t29-,30-/m0/s1
InChIKey	PVNQELSQOJLWFF-KYJUHHDHSA-N
Molecular Weight	626.714 g/mol
SMILES	N([n]1c(ccc1C)C)C(COc1ccc(C[C@]2(C(N[C@@](Cc3ccc(OCC(N[n]4c(ccc4C)C)=O)cc3)(C(N2)=O)[H])=O)[H])cc1)=O
SPLASH	splash10-0006-9700300000-2d590f731ebe87eec2bf
Source of Spectrum	Y1-35-684-5
Synonyms	N-(2,5-dimethylpyrrol-1-yl)-2-[4-[[(2S,5S)-5-[4-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-keto-ethoxy]benzyl]-3,6-diketo-piperazin-2-yl]methyl]phenoxy]acetamide N-(2,5-dimethylpyrrol-1-yl)-2-[4-[[(2S,5S)-5-[[4-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl]-3,6-bis(oxidanylidene)piperazin-2-yl]methyl]phenoxy]ethanamide N-(2,5-dimethylpyrrol-1-yl)-2-[4-[[(2S,5S)-5-[[4-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-oxo-ethoxy]phenyl]methyl]-3,6-dioxo-piperazin-2-yl]methyl]phenoxy]acetamide
Wiley ID	1526788