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N-{1-[cyclohexyl(cyclohexylcarbamoyl)amino]-1-oxo-3-sulfanylpropan-2-yl}-3-(4-methylphenyl)-2-(phenylformamido)prop-2-enamide

View entire compound with spectra: 1 MS (GC)

N-{1-[cyclohexyl(cyclohexylcarbamoyl)amino]-1-oxo-3-sulfanylpropan-2-yl}-3-(4-methylphenyl)-2-(phenylformamido)prop-2-enamide
SpectraBase Compound ID 8wjLXqN9rn2
InChI InChI=1S/C33H42N4O4S/c1-23-17-19-24(20-18-23)21-28(35-30(38)25-11-5-2-6-12-25)31(39)36-29(22-42)32(40)37(27-15-9-4-10-16-27)33(41)34-26-13-7-3-8-14-26/h2,5-6,11-12,17-21,26-27,29,42H,3-4,7-10,13-16,22H2,1H3,(H,34,41)(H,35,38)(H,36,39)/b28-21+
InChIKey UNSGBMWVRCCEJL-SGWCAAJKSA-N
Mol Weight 590.8 g/mol
Molecular Formula C33H42N4O4S
Exact Mass 590.292677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBArPwntUuf
Name N-{1-[cyclohexyl(cyclohexylcarbamoyl)amino]-1-oxo-3-sulfanylpropan-2-yl}-3-(4-methylphenyl)-2-(phenylformamido)prop-2-enamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H42N4O4S
InChI InChI=1S/C33H42N4O4S/c1-23-17-19-24(20-18-23)21-28(35-30(38)25-11-5-2-6-12-25)31(39)36-29(22-42)32(40)37(27-15-9-4-10-16-27)33(41)34-26-13-7-3-8-14-26/h2,5-6,11-12,17-21,26-27,29,42H,3-4,7-10,13-16,22H2,1H3,(H,34,41)(H,35,38)(H,36,39)/b28-21+
InChIKey UNSGBMWVRCCEJL-SGWCAAJKSA-N
Molecular Weight 590.783 g/mol
SMILES N(C(\C(NC(=O)c1ccccc1)=C\c1ccc(cc1)C)=O)C(CS)C(N(C(NC1CCCCC1)=O)C1CCCCC1)=O
SPLASH splash10-0a4l-9523040000-6ad00a26106a86599375
Source of Spectrum EMC-78-82-3i
Synonyms (E)-N-(3-((1-(1,3-dicyclohexylureido)-3-mercapto-1-oxopropan-2-yl)amino)-3-oxo-1-(p-tolyl)prop-1-en-2-yl)benzamide N-[(E)-3-[[1-[cyclohexyl-[(cyclohexylamino)-oxomethyl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide N-[(E)-3-[[1-[cyclohexyl(cyclohexylcarbamoyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide N-[(E)-1-[[2-[cyclohexyl(cyclohexylcarbamoyl)amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-2-(p-tolyl)vinyl]benzamide N-[(E)-3-[[1-[cyclohexyl(cyclohexylcarbamoyl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-(4-methylphenyl)-3-oxidanylidene-prop-1-en-2-yl]benzamide
Wiley ID 1740188