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2-((S)-3-Benzyl-2-oxo-5-phenyl-2,3-dihydro-benzo[e][1,4]diazepin-1-yl)-2-(4-bromo-phenyl)-N-cyclohexyl-acetamide
SpectraBase Compound ID B2cGy5fKE7s
InChI InChI=1S/C36H34BrN3O2/c37-28-22-20-27(21-23-28)34(35(41)38-29-16-8-3-9-17-29)40-32-19-11-10-18-30(32)33(26-14-6-2-7-15-26)39-31(36(40)42)24-25-12-4-1-5-13-25/h1-2,4-7,10-15,18-23,29,31,34H,3,8-9,16-17,24H2,(H,38,41)/t31-,34?/m0/s1
InChIKey WCFOLGGPBITSEB-PTYUOYDSSA-N
Mol Weight 620.6 g/mol
Molecular Formula C36H34BrN3O2
Exact Mass 619.18344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3f0OKpqc0Ja
Name 2-((S)-3-Benzyl-2-oxo-5-phenyl-2,3-dihydro-benzo[e][1,4]diazepin-1-yl)-2-(4-bromo-phenyl)-N-cyclohexyl-acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H34BrN3O2
InChI InChI=1S/C36H34BrN3O2/c37-28-22-20-27(21-23-28)34(35(41)38-29-16-8-3-9-17-29)40-32-19-11-10-18-30(32)33(26-14-6-2-7-15-26)39-31(36(40)42)24-25-12-4-1-5-13-25/h1-2,4-7,10-15,18-23,29,31,34H,3,8-9,16-17,24H2,(H,38,41)/t31-,34?/m0/s1
InChIKey WCFOLGGPBITSEB-PTYUOYDSSA-N
Molecular Weight 620.591 g/mol
SMILES N(C(C(N1C([C@@](N=C(c2c1cccc2)c1ccccc1)(Cc1ccccc1)[H])=O)c1ccc(cc1)Br)=O)C1CCCCC1
SPLASH splash10-0apm-5334900000-6c305a27d00e211625a4
Source of Spectrum F-66-6786-11a
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-Bromophenyl)acetamide
Wiley ID 1684235