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2-(Dimethylamino)-N-[7-[hydroxy(phenyl)methyl]-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide

View entire compound with spectra: 1 MS (GC)

2-(Dimethylamino)-N-[7-[hydroxy(phenyl)methyl]-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide
SpectraBase Compound ID 3TH3g6Uxh6M
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/h8-20,24-28,36H,7H2,1-6H3,(H,32,37)(H,33,38)(H,34,39)/b18-17-
InChIKey UICJQZDVWAMTQQ-ZCXUNETKSA-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 DiefI6yfI46
Name 2-(Dimethylamino)-N-[7-[hydroxy(phenyl)methyl]-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide
CAS Registry Number 72047-69-9
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/h8-20,24-28,36H,7H2,1-6H3,(H,32,37)(H,33,38)(H,34,39)/b18-17-
InChIKey UICJQZDVWAMTQQ-ZCXUNETKSA-N
Molecular Weight 550.700 g/mol
SMILES N(C(C(C(CC)C)N(C)C)=O)C1C(NC(C(O)c2ccccc2)C(N\C=C/c2ccc(OC1C(C)C)cc2)=O)=O
SPLASH splash10-03di-2900000000-4ded22ecd06fa0b5f6db
Source of Spectrum W5-0-0-0
Synonyms 2-(dimethylamino)-N-[(2Z)-6-[hydroxy(phenyl)methyl]-10-isopropyl-5,8-diketo-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-methyl-valeramide 2-(dimethylamino)-N-[(2Z)-6-[hydroxy(phenyl)methyl]-10-isopropyl-5,8-dioxo-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-methyl-pentanamide 2-(dimethylamino)-N-[(2Z)-6-[hydroxy(phenyl)methyl]-5,8-dioxo-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-methylpentanamide N-[(2Z)-5,8-bis(oxidanylidene)-6-[oxidanyl(phenyl)methyl]-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-2-(dimethylamino)-3-methyl-pentanamide Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-3-methyl-
Wiley ID 1405736