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N-[7-Benzoyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-2-(dimethylamino)-3-methylpentanamide
SpectraBase Compound ID 6c8wKrsLarO
InChI InChI=1S/C31H42N4O5/c1-7-20(4)26(35(5)6)31(39)34-25-28(19(2)3)40-23-15-13-21(14-16-23)17-18-32-29(37)24(33-30(25)38)27(36)22-11-9-8-10-12-22/h8-16,19-20,24-26,28H,7,17-18H2,1-6H3,(H,32,37)(H,33,38)(H,34,39)
InChIKey VXLIBXVOOUUDMW-UHFFFAOYSA-N
Mol Weight 550.7 g/mol
Molecular Formula C31H42N4O5
Exact Mass 550.31552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HfQuX06Wap
Name N-[7-Benzoyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-2-(dimethylamino)-3-methylpentanamide
CAS Registry Number 72047-71-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H42N4O5
InChI InChI=1S/C31H42N4O5/c1-7-20(4)26(35(5)6)31(39)34-25-28(19(2)3)40-23-15-13-21(14-16-23)17-18-32-29(37)24(33-30(25)38)27(36)22-11-9-8-10-12-22/h8-16,19-20,24-26,28H,7,17-18H2,1-6H3,(H,32,37)(H,33,38)(H,34,39)
InChIKey VXLIBXVOOUUDMW-UHFFFAOYSA-N
Molecular Weight 550.700 g/mol
SMILES N(C1C(NC(C(NCCc2ccc(OC1C(C)C)cc2)=O)C(c1ccccc1)=O)=O)C(C(C(C)CC)N(C)C)=O
SPLASH splash10-03di-1900000000-fd7b2b21544709d70a82
Source of Spectrum W5-0-0-0
Synonyms N-(6-benzoyl-10-isopropyl-5,8-diketo-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-9-yl)-2-(dimethylamino)-3-methyl-valeramide N-(6-benzoyl-10-isopropyl-5,8-dioxo-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-9-yl)-2-(dimethylamino)-3-methyl-pentanamide N-(6-benzoyl-5,8-dioxo-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-9-yl)-2-(dimethylamino)-3-methylpentanamide N-[5,8-bis(oxidanylidene)-6-(phenylcarbonyl)-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-9-yl]-2-(dimethylamino)-3-methyl-pentanamide Pentanamide, N-[7-benzoyl-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-2-(dimethylamino)-3-methyl-
Wiley ID 1405737