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{[2-(4-{1-[2-(Bismethoxycarbonylmethylamino)ethyl]-3,5-dimethyl-4-ylmethoxymethyl}-3,5-dimethylpyrazol-1-yl)ethyl]methoxycarbonylmethylamino}acetic acid methyl ester isomer

View entire compound with spectra: 2 MS (GC)

{[2-(4-{1-[2-(Bismethoxycarbonylmethylamino)ethyl]-3,5-dimethyl-4-ylmethoxymethyl}-3,5-dimethylpyrazol-1-yl)ethyl]methoxycarbonylmethylamino}acetic acid methyl ester isomer
SpectraBase Compound ID HTr1EGJEgBs
InChI InChI=1S/C28H44N6O9/c1-19-23(21(3)33(29-19)11-9-31(13-25(35)39-5)14-26(36)40-6)17-43-18-24-20(2)30-34(22(24)4)12-10-32(15-27(37)41-7)16-28(38)42-8/h9-18H2,1-8H3
InChIKey URHXIUGUTPCCOT-UHFFFAOYSA-N
Mol Weight 608.7 g/mol
Molecular Formula C28H44N6O9
Exact Mass 608.316977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8eJJoIbKnrj
Name {[2-(4-{1-[2-(Bismethoxycarbonylmethylamino)ethyl]-3,5-dimethyl-4-ylmethoxymethyl}-3,5-dimethylpyrazol-1-yl)ethyl]methoxycarbonylmethylamino}acetic acid methyl ester isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44N6O9
InChI InChI=1S/C28H44N6O9/c1-19-23(21(3)33(29-19)11-9-31(13-25(35)39-5)14-26(36)40-6)17-43-18-24-20(2)30-34(22(24)4)12-10-32(15-27(37)41-7)16-28(38)42-8/h9-18H2,1-8H3
InChIKey URHXIUGUTPCCOT-UHFFFAOYSA-N
Molecular Weight 608.693 g/mol
SMILES c1(n[n](c(c1COCc1c([n](CCN(CC(=O)OC)CC(=O)OC)nc1C)C)C)CCN(CC(=O)OC)CC(=O)OC)C
SPLASH splash10-0092-0911000000-c6d7d86dbe8139e91ea4
Source of Spectrum O1-65-1700-20
Synonyms {[2-(4-{1-[2-(Bismethoxycarbonylmethylamino)ethyl]-3,5-dimethyl-4-ylmethoxymethyl}-3,5-dimethylpyrazol-1-yl)ethyl]methoxycarbonylmethylamino}acetic acid methyl ester
Wiley ID 1593173