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Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl-
SpectraBase Compound ID KK94x8OYGEJ
InChI InChI=1S/C31H44N4O5/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/h8-16,19-20,24-28,36H,7,17-18H2,1-6H3,(H,32,37)(H,33,38)(H,34,39)
InChIKey VMJIVMNWUMWQGS-UHFFFAOYSA-N
Mol Weight 552.7 g/mol
Molecular Formula C31H44N4O5
Exact Mass 552.331171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItsfO5OA8fx
Name 2-(Dimethylamino)-N-[7-[hydroxy(phenyl)methyl]-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-3-methylpentanamide
CAS Registry Number 72047-70-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H44N4O5
InChI InChI=1S/C31H44N4O5/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/h8-16,19-20,24-28,36H,7,17-18H2,1-6H3,(H,32,37)(H,33,38)(H,34,39)
InChIKey VMJIVMNWUMWQGS-UHFFFAOYSA-N
Molecular Weight 552.716 g/mol
SMILES N(C1C(NC(C(c2ccccc2)O)C(NCCc2ccc(OC1C(C)C)cc2)=O)=O)C(C(C(C)CC)N(C)C)=O
SPLASH splash10-03di-0900000000-7eba6470e293c987672c
Source of Spectrum W5-0-0-0
Synonyms 2-(dimethylamino)-N-[6-[hydroxy(phenyl)methyl]-10-isopropyl-5,8-diketo-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-9-yl]-3-methyl-valeramide 2-(dimethylamino)-N-[6-[hydroxy(phenyl)methyl]-10-isopropyl-5,8-dioxo-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-9-yl]-3-methyl-pentanamide 2-(dimethylamino)-N-[6-[hydroxy(phenyl)methyl]-5,8-dioxo-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-9-yl]-3-methylpentanamide N-[5,8-bis(oxidanylidene)-6-[oxidanyl(phenyl)methyl]-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, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl-
Wiley ID 1405984