(3S)-N-Cyclohexyl-7-iodo-4-(1-(S)-methylbenzyl)-5-oxo-2-phenyl-4,5-dihydro-3Hbenzo[e][1,4]diazepine-3-carboxamide

SpectraBase Compound ID	HYiI1VAQZmd
InChI	InChI=1S/C30H30IN3O2/c1-20(21-11-5-2-6-12-21)34-28(29(35)32-24-15-9-4-10-16-24)27(22-13-7-3-8-14-22)33-26-18-17-23(31)19-25(26)30(34)36/h2-3,5-8,11-14,17-20,24,28H,4,9-10,15-16H2,1H3,(H,32,35)/t20-,28-/m0/s1
InChIKey	AXXMJHLEIFXTGQ-MMTVBGGISA-N Google Search
Mol Weight	591.49 g/mol
Molecular Formula	C30H30IN3O2
Exact Mass	591.138272 g/mol

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SpectraBase Spectrum ID	2k1srnLxom
Name	(3S)-N-Cyclohexyl-7-iodo-4-(1-(S)-methylbenzyl)-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	C30H30IN3O2
InChI	InChI=1S/C30H30IN3O2/c1-20(21-11-5-2-6-12-21)34-28(29(35)32-24-15-9-4-10-16-24)27(22-13-7-3-8-14-22)33-26-18-17-23(31)19-25(26)30(34)36/h2-3,5-8,11-14,17-20,24,28H,4,9-10,15-16H2,1H3,(H,32,35)/t20-,28-/m0/s1
InChIKey	AXXMJHLEIFXTGQ-MMTVBGGISA-N
Literature Reference DOI	10.1021/ol503628r
Molecular Weight	591.493 g/mol
SMILES	N(C1CCCCC1)C([C@]1(N(C(=O)c2c(ccc(c2)I)N=C1c1ccccc1)[C@](c1ccccc1)(C)[H])[H])=O
SPLASH	splash10-08fr-0609110000-05f186b7b83e788132d5
Source of Spectrum	A1-17-612/SMS9-l_7d
Synonyms	(S)-N-cyclohexyl-7-iodo-5-oxo-2-phenyl-4-((S)-1-phenylethyl)-4,5-dihydro-3H-benzo[e][1,4]diazepine-3-carboxamide
Wiley ID	1756272