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(E)-N-Cyclohexyl-2-[N-(1-(S)-methylbenzyl)-N-(2-nitrobenzoyl)amino]-3-hydroxy-3-phenylacrylamide

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(E)-N-Cyclohexyl-2-[N-(1-(S)-methylbenzyl)-N-(2-nitrobenzoyl)amino]-3-hydroxy-3-phenylacrylamide
SpectraBase Compound ID KPEeociFyHk
InChI InChI=1S/C30H31N3O5/c1-21(22-13-5-2-6-14-22)32(30(36)25-19-11-12-20-26(25)33(37)38)27(28(34)23-15-7-3-8-16-23)29(35)31-24-17-9-4-10-18-24/h2-3,5-8,11-16,19-21,24,34H,4,9-10,17-18H2,1H3,(H,31,35)/b28-27+/t21-/m0/s1
InChIKey NWXJITRKDYHXAA-CUDYFHFOSA-N
Mol Weight 513.59 g/mol
Molecular Formula C30H31N3O5
Exact Mass 513.226371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DC1OeaCVvHh
Name (E)-N-Cyclohexyl-2-[N-(1-(S)-methylbenzyl)-N-(2-nitrobenzoyl)amino]-3-hydroxy-3-phenylacrylamide
Alternate Name(s) (S,E)-N-(3-(cyclohexylamino)-1-hydroxy-3-oxo-1-phenylprop-1-en-2-yl)-2-nitro-N-(1-phenylethyl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H31N3O5
InChI InChI=1S/C30H31N3O5/c1-21(22-13-5-2-6-14-22)32(30(36)25-19-11-12-20-26(25)33(37)38)27(28(34)23-15-7-3-8-16-23)29(35)31-24-17-9-4-10-18-24/h2-3,5-8,11-16,19-21,24,34H,4,9-10,17-18H2,1H3,(H,31,35)/b28-27+/t21-/m0/s1
InChIKey NWXJITRKDYHXAA-CUDYFHFOSA-N
Literature Reference DOI 10.1021/ol503628r
Molecular Weight 513.594 g/mol
SMILES N(C(\C(=C/(c1ccccc1)O)N(C(=O)c1ccccc1[N+](=O)[O-])[C@](c1ccccc1)(C)[H])=O)C1CCCCC1
SPLASH splash10-000i-0293200000-37aec3b0c3c5a26a3288
Source of Spectrum A1-17-612/SMS5-6a
Wiley ID 1756270