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(3R)-N-Cyclohexyl-2-(4-fluorophenyl)-4-(1-(S)-methylbenzyl)-5-oxo-4,5-dihydro-3H-benzo[e][1,4]diazepine-3-carboxamide
SpectraBase Compound ID E1qeB00nkOF
InChI InChI=1S/C30H30FN3O2/c1-20(21-10-4-2-5-11-21)34-28(29(35)32-24-12-6-3-7-13-24)27(22-16-18-23(31)19-17-22)33-26-15-9-8-14-25(26)30(34)36/h2,4-5,8-11,14-20,24,28H,3,6-7,12-13H2,1H3,(H,32,35)/t20-,28+/m0/s1
InChIKey DKVPEZBLNHGCOY-WTYVLRPYSA-N
Mol Weight 483.59 g/mol
Molecular Formula C30H30FN3O2
Exact Mass 483.232205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KeujKB8fADB
Name (3R)-N-Cyclohexyl-2-(4-fluorophenyl)-4-(1-(S)-methylbenzyl)-5-oxo-4,5-dihydro-3H-benzo[e][1,4]diazepine-3-carboxamide
Alternate Name(s) (R)-N-cyclohexyl-2-(4-fluorophenyl)-5-oxo-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 C30H30FN3O2
InChI InChI=1S/C30H30FN3O2/c1-20(21-10-4-2-5-11-21)34-28(29(35)32-24-12-6-3-7-13-24)27(22-16-18-23(31)19-17-22)33-26-15-9-8-14-25(26)30(34)36/h2,4-5,8-11,14-20,24,28H,3,6-7,12-13H2,1H3,(H,32,35)/t20-,28+/m0/s1
InChIKey DKVPEZBLNHGCOY-WTYVLRPYSA-N
Literature Reference DOI 10.1021/ol503628r
Molecular Weight 483.587 g/mol
SMILES N(C1CCCCC1)C([C@@]1(N(C(=O)c2c(cccc2)N=C1c1ccc(cc1)F)[C@](c1ccccc1)(C)[H])[H])=O
SPLASH splash10-0pvj-2920000000-7b6185ea1e9d2f2f942b
Source of Spectrum A1-17-612/SMS11-u_7f
Wiley ID 1756278