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Butanamide, 2-(dimethylamino)-N-[5,8-dioxo-3-phenyl-7-(phenylmethyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl-, [3R-[3R*,4S*(S*,7S*)]]-

View entire compound with spectra: 2 MS (GC)

Butanamide, 2-(dimethylamino)-N-[5,8-dioxo-3-phenyl-7-(phenylmethyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl-, [3R-[3R*,4S*(S*,7S*)]]-
SpectraBase Compound ID 8l2fpZWFuor
InChI InChI=1S/C33H40N4O4/c1-22(2)29(37(3)4)33(40)36-28-30(25-13-9-6-10-14-25)41-26-17-15-23(16-18-26)19-20-34-31(38)27(35-32(28)39)21-24-11-7-5-8-12-24/h5-18,22,27-30H,19-21H2,1-4H3,(H,34,38)(H,35,39)(H,36,40)
InChIKey JVDIIEQTVHVCLH-UHFFFAOYSA-N
Mol Weight 556.7 g/mol
Molecular Formula C33H40N4O4
Exact Mass 556.304956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIRi0cUV7HH
Name Butanamide, 2-(dimethylamino)-N-[5,8-dioxo-3-phenyl-7-(phenylmethyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl-, [3R-[3R*,4S*(S*,7S*)]]-
CAS Registry Number 55517-68-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H40N4O4
InChI InChI=1S/C33H40N4O4/c1-22(2)29(37(3)4)33(40)36-28-30(25-13-9-6-10-14-25)41-26-17-15-23(16-18-26)19-20-34-31(38)27(35-32(28)39)21-24-11-7-5-8-12-24/h5-18,22,27-30H,19-21H2,1-4H3,(H,34,38)(H,35,39)(H,36,40)
InChIKey JVDIIEQTVHVCLH-UHFFFAOYSA-N
Molecular Weight 556.707 g/mol
SMILES N(C1C(NC(Cc2ccccc2)C(NCCc2ccc(OC1c1ccccc1)cc2)=O)=O)C(C(C(C)C)N(C)C)=O
SPLASH splash10-0udi-0900000000-43939847d23fc7678eee
Source of Spectrum JX-2015-6-6746
Synonyms N-[7-Benzyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-2-(dimethylamino)-3-methylbutanamide 2-(dimethylamino)-N-[5,8-dioxo-10-phenyl-6-(phenylmethyl)-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-9-yl]-3-methylbutanamide Integerressine, dihydro- N-(6-benzyl-5,8-diketo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-9-yl)-2-(dimethylamino)-3-methyl-butyramide N-(6-benzyl-5,8-dioxo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-9-yl)-2-(dimethylamino)-3-methyl-butanamide N-[5,8-bis(oxidanylidene)-10-phenyl-6-(phenylmethyl)-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-9-yl]-2-(dimethylamino)-3-methyl-butanamide Dihydro-integerressin N-(6-benzyl-5,8-dioxo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-9-yl)-2-(dimethylamino)-3-methylbutanamide
Wiley ID 1729468