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Azonino[5,4-b]indole-3,7(2H)-dicarboxylic acid, 7-[4-(dimethylamino)-2-methoxyphenyl]-1,4,5,6,7,8-hexahydro-, 7-methyl 3-(phenylmethyl)ester, (.+-.)-
SpectraBase Compound ID 5onWBExEWSs
InChI InChI=1S/C33H37N3O7/c34-30(38)33(41)20-26(14-9-19-42-22-24-10-3-1-4-11-24)21-36(32(40)43-23-25-12-5-2-6-13-25)18-17-29(37)27-15-7-8-16-28(27)35-31(33)39/h1-8,10-13,15-16,26,41H,9,14,17-23H2,(H2,34,38)(H,35,39)
InChIKey KDUMUVFXWBFPQV-UHFFFAOYSA-N
Mol Weight 587.7 g/mol
Molecular Formula C33H37N3O7
Exact Mass 587.263151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49eRWpQjMZY
Name Azonino[5,4-b]indole-3,7(2H)-dicarboxylic acid, 7-[4-(dimethylamino)-2-methoxyphenyl]-1,4,5,6,7,8-hexahydro-, 7-methyl 3-(phenylmethyl)ester, (.+-.)-
Alternate Name(s) 7-Benzyloxycarbonyl-2,10-dioxo-3-hydroxy-5-(3-benzyloxypropyl)-1,2,3,4,5,6,7,8,9,10-decahydro-1,7-benzodiazacyclododecin-3-carbonsaureamid benzyl 3-(aminocarbonyl)-5-[3-(benzyloxy)propyl]-3-hydroxy-2,10-dioxo-1,3,4,5,6,8,9,10-octahydro-1,7-benzodiazacyclododecine-7(2H)-carboxylate
CAS Registry Number 116527-88-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H37N3O7
InChI InChI=1S/C33H37N3O7/c34-30(38)33(41)20-26(14-9-19-42-22-24-10-3-1-4-11-24)21-36(32(40)43-23-25-12-5-2-6-13-25)18-17-29(37)27-15-7-8-16-28(27)35-31(33)39/h1-8,10-13,15-16,26,41H,9,14,17-23H2,(H2,34,38)(H,35,39)
InChIKey KDUMUVFXWBFPQV-UHFFFAOYSA-N
Molecular Weight 587.673 g/mol
SMILES N1c2c(C(CCN(CC(CC(C1=O)(C(=O)N)O)CCCOCc1ccccc1)C(OCc1ccccc1)=O)=O)cccc2
SPLASH splash10-0006-9000000000-53a43af9ce225842dc94
Source of Spectrum F-43-3758-0
Wiley ID 1409116