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6-[[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]methyl]-1-oxidanidyl-pyridin-1-ium-2-carboxylic acid
SpectraBase Compound ID FYMEEwF8W59
InChI InChI=1S/C19H29N3O7/c1-18(2,3)28-16(25)20-10-11-21(17(26)29-19(4,5)6)12-13-8-7-9-14(15(23)24)22(13)27/h7-9H,10-12H2,1-6H3,(H,20,25)(H,23,24)
InChIKey ZJSMBXMVWCXSOT-UHFFFAOYSA-N
Mol Weight 411.46 g/mol
Molecular Formula C19H29N3O7
Exact Mass 411.20055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Jgb1TlvTHE
Name 6-[[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]methyl]-1-oxidanidyl-pyridin-1-ium-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29N3O7
InChI InChI=1S/C19H29N3O7/c1-18(2,3)28-16(25)20-10-11-21(17(26)29-19(4,5)6)12-13-8-7-9-14(15(23)24)22(13)27/h7-9H,10-12H2,1-6H3,(H,20,25)(H,23,24)
InChIKey ZJSMBXMVWCXSOT-UHFFFAOYSA-N
Molecular Weight 411.455 g/mol
SMILES OC(c1[n+](c(CN(CCNC(OC(C)(C)C)=O)C(OC(C)(C)C)=O)ccc1)[O-])=O
SPLASH splash10-0006-9100000000-432e85b4dbf2719e8081
Source of Spectrum KC-0-2347-20
Synonyms 6-[[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]methyl]-1-oxidopyridin-1-ium-2-carboxylic acid 6-[[tert-butoxycarbonyl-[2-(tert-butoxycarbonylamino)ethyl]amino]methyl]-1-oxido-pyridin-1-ium-2-carboxylic acid 6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]amino]methyl]-1-oxido-2-pyridin-1-iumcarboxylic acid
Wiley ID 828886