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(3R)-N-Benzyl-4-(1-(S)-methylbenzyl)-5-oxo-2-phenyl-4,5-dihydro-3Hbenzo[e][1,4]diazepine-3-carboxamide
SpectraBase Compound ID 7vjTk3U8H7d
InChI InChI=1S/C31H27N3O2/c1-22(24-15-7-3-8-16-24)34-29(30(35)32-21-23-13-5-2-6-14-23)28(25-17-9-4-10-18-25)33-27-20-12-11-19-26(27)31(34)36/h2-20,22,29H,21H2,1H3,(H,32,35)/t22-,29+/m0/s1
InChIKey QMEUFOVFQXBVPZ-PZGXJGMVSA-N
Mol Weight 473.58 g/mol
Molecular Formula C31H27N3O2
Exact Mass 473.210327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KfytmCttT90
Name (3R)-N-Benzyl-4-(1-(S)-methylbenzyl)-5-oxo-2-phenyl-4,5-dihydro-3Hbenzo[e][1,4]diazepine-3-carboxamide
Alternate Name(s) (R)-N-benzyl-5-oxo-2-phenyl-4-((S)-1-phenylethyl)-4,5-dihydro-3H-benzo[e][1,4]diazepine-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H27N3O2
InChI InChI=1S/C31H27N3O2/c1-22(24-15-7-3-8-16-24)34-29(30(35)32-21-23-13-5-2-6-14-23)28(25-17-9-4-10-18-25)33-27-20-12-11-19-26(27)31(34)36/h2-20,22,29H,21H2,1H3,(H,32,35)/t22-,29+/m0/s1
InChIKey QMEUFOVFQXBVPZ-PZGXJGMVSA-N
Literature Reference DOI 10.1021/ol503628r
Molecular Weight 473.576 g/mol
SMILES N(Cc1ccccc1)C([C@@]1(N(C(=O)c2c(cccc2)N=C1c1ccccc1)[C@](c1ccccc1)(C)[H])[H])=O
SPLASH splash10-052r-0491100000-441cd841761aba14c613
Source of Spectrum A1-17-612/SMS10-u_7e
Wiley ID 1756277