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(3R)-N-Cyclohexyl-4-(1-(S)-methylbenzyl)-8-nitro-5-oxo-2-phenyl-4,5-dihydro-3Hbenzo[e][1,4]diazepine-3-carboxamide
SpectraBase Compound ID Dt1QgkPrcji
InChI InChI=1S/C30H30N4O4/c1-20(21-11-5-2-6-12-21)33-28(29(35)31-23-15-9-4-10-16-23)27(22-13-7-3-8-14-22)32-26-19-24(34(37)38)17-18-25(26)30(33)36/h2-3,5-8,11-14,17-20,23,28H,4,9-10,15-16H2,1H3,(H,31,35)/t20-,28+/m0/s1
InChIKey XYWXCLXCGFZSKS-WTYVLRPYSA-N
Mol Weight 510.59 g/mol
Molecular Formula C30H30N4O4
Exact Mass 510.226705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8x2hBhF2xE
Name (3R)-N-Cyclohexyl-4-(1-(S)-methylbenzyl)-8-nitro-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 C30H30N4O4
InChI InChI=1S/C30H30N4O4/c1-20(21-11-5-2-6-12-21)33-28(29(35)31-23-15-9-4-10-16-23)27(22-13-7-3-8-14-22)32-26-19-24(34(37)38)17-18-25(26)30(33)36/h2-3,5-8,11-14,17-20,23,28H,4,9-10,15-16H2,1H3,(H,31,35)/t20-,28+/m0/s1
InChIKey XYWXCLXCGFZSKS-WTYVLRPYSA-N
Literature Reference DOI 10.1021/ol503628r
Molecular Weight 510.594 g/mol
SMILES N(C1CCCCC1)C([C@@]1(N([C@](c2ccccc2)(C)[H])C(=O)c2c(cc([N+](=O)[O-])cc2)N=C1c1ccccc1)[H])=O
SPLASH splash10-001i-0094010000-f59ce9c8c13598819781
Source of Spectrum A1-17-612/SMS7-u_7b
Synonyms (R)-N-cyclohexyl-8-nitro-5-oxo-2-phenyl-4-((S)-1-phenylethyl)-4,5-dihydro-3H-benzo[e][1,4]diazepine-3-carboxamide
Wiley ID 1756275