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(3R)-N-Cyclohexyl-4-(1-(S)-methylbenzyl)-5-oxo-2-phenyl-4,5-dihydro-3Hbenzo[e][1,4]diazepine-3-carboxamide
SpectraBase Compound ID 9CpxTHdZhC9
InChI InChI=1S/C30H31N3O2/c1-21(22-13-5-2-6-14-22)33-28(29(34)31-24-17-9-4-10-18-24)27(23-15-7-3-8-16-23)32-26-20-12-11-19-25(26)30(33)35/h2-3,5-8,11-16,19-21,24,28H,4,9-10,17-18H2,1H3,(H,31,34)/t21-,28+/m0/s1
InChIKey ZPMLROYVUXGUKB-RBTNQOKQSA-N
Mol Weight 465.6 g/mol
Molecular Formula C30H31N3O2
Exact Mass 465.241627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3YWdNDFRzub
Name (3R)-N-Cyclohexyl-4-(1-(S)-methylbenzyl)-5-oxo-2-phenyl-4,5-dihydro-3Hbenzo[e][1,4]diazepine-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H31N3O2
InChI InChI=1S/C30H31N3O2/c1-21(22-13-5-2-6-14-22)33-28(29(34)31-24-17-9-4-10-18-24)27(23-15-7-3-8-16-23)32-26-20-12-11-19-25(26)30(33)35/h2-3,5-8,11-16,19-21,24,28H,4,9-10,17-18H2,1H3,(H,31,34)/t21-,28+/m0/s1
InChIKey ZPMLROYVUXGUKB-RBTNQOKQSA-N
Literature Reference DOI 10.1021/ol503628r
Molecular Weight 465.597 g/mol
SMILES N(C1CCCCC1)C([C@@]1(N(C(=O)c2ccccc2N=C1c1ccccc1)[C@](c1ccccc1)(C)[H])[H])=O
SPLASH splash10-052r-0492000000-faa42c15a368e90497fd
Source of Spectrum A1-17-612/SMS6-u_7a
Synonyms (R)-N-cyclohexyl-5-oxo-2-phenyl-4-((S)-1-phenylethyl)-4,5-dihydro-3H-benzo[e][1,4]diazepine-3-carboxamide
Wiley ID 1756274