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Benzenepropanamide, .alpha.-(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]-, [3S-[3R*,4R*(R*),7R*(S*)]]-
SpectraBase Compound ID GhWix75Z9Mh
InChI InChI=1S/C34H40N4O5/c1-22(2)31-29(37-32(40)27(38(3)4)21-24-11-7-5-8-12-24)34(42)36-28(30(39)25-13-9-6-10-14-25)33(41)35-20-19-23-15-17-26(43-31)18-16-23/h5-20,22,27-31,39H,21H2,1-4H3,(H,35,41)(H,36,42)(H,37,40)/b20-19-/t27?,28-,29-,30?,31-/m0/s1
InChIKey YCOHIMQJGPGODE-ANRAIGRFSA-N
Mol Weight 584.7 g/mol
Molecular Formula C34H40N4O5
Exact Mass 584.29987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gd7af4U8haJ
Name Benzenepropanamide, .alpha.-(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]-, [3S-[3R*,4R*(R*),7R*(S*)]]-
CAS Registry Number 53766-27-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H40N4O5
InChI InChI=1S/C34H40N4O5/c1-22(2)31-29(37-32(40)27(38(3)4)21-24-11-7-5-8-12-24)34(42)36-28(30(39)25-13-9-6-10-14-25)33(41)35-20-19-23-15-17-26(43-31)18-16-23/h5-20,22,27-31,39H,21H2,1-4H3,(H,35,41)(H,36,42)(H,37,40)/b20-19-/t27?,28-,29-,30?,31-/m0/s1
InChIKey YCOHIMQJGPGODE-ANRAIGRFSA-N
Molecular Weight 584.717 g/mol
SMILES N1[C@@](C(c2ccccc2)O)(C(N\C=C/c2ccc(O[C@]([C@@](C1=O)(NC(C(N(C)C)Cc1ccccc1)=O)[H])(C(C)C)[H])cc2)=O)[H]
SPLASH splash10-0002-0900000000-28e2a6a1b4355a973118
Source of Spectrum W5-0-0-0
Synonyms 2-(dimethylamino)-N-[(3S,4S,7S)-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-phenylpropanamide
Wiley ID 1408866