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2-((S)-3-Benzyl-2-oxo-5-phenyl-2,3-dihydro-benzo[e][1,4]diazepin-1-yl)-N-cyclohexyl-2-p-tolyl-acetamide
SpectraBase Compound ID IiiTIb0FnfU
InChI InChI=1S/C37H37N3O2/c1-26-21-23-29(24-22-26)35(36(41)38-30-17-9-4-10-18-30)40-33-20-12-11-19-31(33)34(28-15-7-3-8-16-28)39-32(37(40)42)25-27-13-5-2-6-14-27/h2-3,5-8,11-16,19-24,30,32,35H,4,9-10,17-18,25H2,1H3,(H,38,41)/t32-,35?/m0/s1
InChIKey QLKMBGGGHBFYEK-GYXLRUHFSA-N
Mol Weight 555.7 g/mol
Molecular Formula C37H37N3O2
Exact Mass 555.288577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3rRG9NpUTf0
Name 2-((S)-3-Benzyl-2-oxo-5-phenyl-2,3-dihydro-benzo[e][1,4]diazepin-1-yl)-N-cyclohexyl-2-p-tolyl-acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H37N3O2
InChI InChI=1S/C37H37N3O2/c1-26-21-23-29(24-22-26)35(36(41)38-30-17-9-4-10-18-30)40-33-20-12-11-19-31(33)34(28-15-7-3-8-16-28)39-32(37(40)42)25-27-13-5-2-6-14-27/h2-3,5-8,11-16,19-24,30,32,35H,4,9-10,17-18,25H2,1H3,(H,38,41)/t32-,35?/m0/s1
InChIKey QLKMBGGGHBFYEK-GYXLRUHFSA-N
Molecular Weight 555.722 g/mol
SMILES N(C(C(N1C([C@@](N=C(c2c1cccc2)c1ccccc1)(Cc1ccccc1)[H])=O)c1ccc(cc1)C)=O)C1CCCCC1
SPLASH splash10-0f89-0033900000-a5b89e71d0e744997795
Source of Spectrum F-66-6786-11c
Synonyms N-Cyclohexyl 2-((S)-3-benzyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepein-1-yl)-(R/S)-2-(4-methylphenyl)acetamide
Wiley ID 1684232