![N-{1-[cyclohexyl(cyclohexylcarbamoyl)amino]-1-oxo-3-sulfanylpropan-2-yl}-3-(4-hydroxyphenyl)-2-(phenylformamido)prop-2-enamide](/api/spectrum/B9dRV8dJxu5/structure.png?h=300&w=458 "N-{1-[cyclohexyl(cyclohexylcarbamoyl)amino]-1-oxo-3-sulfanylpropan-2-yl}-3-(4-hydroxyphenyl)-2-(phenylformamido)prop-2-enamide")
| SpectraBase Compound ID | Rd8mS7DYkC |
|---|---|
| InChI | InChI=1S/C32H40N4O5S/c37-26-18-16-22(17-19-26)20-27(34-29(38)23-10-4-1-5-11-23)30(39)35-28(21-42)31(40)36(25-14-8-3-9-15-25)32(41)33-24-12-6-2-7-13-24/h1,4-5,10-11,16-20,24-25,28,37,42H,2-3,6-9,12-15,21H2,(H,33,41)(H,34,38)(H,35,39)/b27-20+ |
| InChIKey | XMAPBJPEIYNSKF-NHFJDJAPSA-N |
| Mol Weight | 592.8 g/mol |
| Molecular Formula | C32H40N4O5S |
| Exact Mass | 592.271942 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B9dRV8dJxu5 |
|---|---|
| Name | N-{1-[cyclohexyl(cyclohexylcarbamoyl)amino]-1-oxo-3-sulfanylpropan-2-yl}-3-(4-hydroxyphenyl)-2-(phenylformamido)prop-2-enamide |
| Alternate Name(s) | (E)-N-(3-((1-(1,3-dicyclohexylureido)-3-mercapto-1-oxopropan-2-yl)amino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl)benzamide N-[(E)-3-[[1-[cyclohexyl-[(cyclohexylamino)-oxomethyl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide N-[(E)-3-[[1-[cyclohexyl(cyclohexylcarbamoyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide N-[(E)-1-[[2-[cyclohexyl(cyclohexylcarbamoyl)amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-2-(4-hydroxyphenyl)vinyl]benzamide N-[(E)-3-[[1-[cyclohexyl(cyclohexylcarbamoyl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-(4-hydroxyphenyl)-3-oxidanylidene-prop-1-en-2-yl]benzamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H40N4O5S |
| InChI | InChI=1S/C32H40N4O5S/c37-26-18-16-22(17-19-26)20-27(34-29(38)23-10-4-1-5-11-23)30(39)35-28(21-42)31(40)36(25-14-8-3-9-15-25)32(41)33-24-12-6-2-7-13-24/h1,4-5,10-11,16-20,24-25,28,37,42H,2-3,6-9,12-15,21H2,(H,33,41)(H,34,38)(H,35,39)/b27-20+ |
| InChIKey | XMAPBJPEIYNSKF-NHFJDJAPSA-N |
| Molecular Weight | 592.755 g/mol |
| SMILES | N(C(\C(=C/c1ccc(cc1)O)NC(=O)c1ccccc1)=O)C(CS)C(N(C(NC1CCCCC1)=O)C1CCCCC1)=O |
| SPLASH | splash10-00b9-5429770000-486b63a1a1c713c4ec50 |
| Source of Spectrum | EMC-78-82-3j |
| Wiley ID | 1740187 |