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Methyl (1E)-1-[4-(dimethylamino)-1-naphthyl]-4,7,10,13,16-pentaoxo-2,5,8,11,14,17-hexaazanonadec-1-en-19-oate
SpectraBase Compound ID Ac3yHDy987X
InChI InChI=1S/C26H33N7O7/c1-33(2)20-9-8-17(18-6-4-5-7-19(18)20)10-27-11-21(34)28-12-22(35)29-13-23(36)30-14-24(37)31-15-25(38)32-16-26(39)40-3/h4-10H,11-16H2,1-3H3,(H,28,34)(H,29,35)(H,30,36)(H,31,37)(H,32,38)/b27-10+
InChIKey RVQMGNLAMIYOKQ-YPXUMCKCSA-N
Mol Weight 555.6 g/mol
Molecular Formula C26H33N7O7
Exact Mass 555.244146 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzcheHMTyc4
Name Methyl (1E)-1-[4-(dimethylamino)-1-naphthyl]-4,7,10,13,16-pentaoxo-2,5,8,11,14,17-hexaazanonadec-1-en-19-oate
CAS Registry Number 57237-91-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33N7O7
InChI InChI=1S/C26H33N7O7/c1-33(2)20-9-8-17(18-6-4-5-7-19(18)20)10-27-11-21(34)28-12-22(35)29-13-23(36)30-14-24(37)31-15-25(38)32-16-26(39)40-3/h4-10H,11-16H2,1-3H3,(H,28,34)(H,29,35)(H,30,36)(H,31,37)(H,32,38)/b27-10+
InChIKey RVQMGNLAMIYOKQ-YPXUMCKCSA-N
Molecular Weight 555.592 g/mol
SMILES N(CC(OC)=O)C(CNC(CNC(CNC(CNC(=O)C\N=C\c1ccc(N(C)C)c2ccccc12)=O)=O)=O)=O
SPLASH splash10-001j-0912000000-7e308ae3311f9eee1677
Source of Spectrum O7-0-817-0
Synonyms Glycine, N-[N-[N-[N-[N-[N-[[N-(dimethylamino)-4-naphthalenyl]methylene]glycyl]glycyl]glycyl]glycyl]glycyl]-, methyl ester
Wiley ID 1406287