![N-{1-[cyclohexyl(cyclohexylcarbamoyl)amino]-1-oxo-3-sulfanylpropan-2-yl}-3-phenyl-2-(phenylformamido)prop-2-enamide](/api/spectrum/EZXvHiQDUmj/structure.png?h=300&w=458 "N-{1-[cyclohexyl(cyclohexylcarbamoyl)amino]-1-oxo-3-sulfanylpropan-2-yl}-3-phenyl-2-(phenylformamido)prop-2-enamide")
| SpectraBase Compound ID | JS3IExuxqZ |
|---|---|
| InChI | InChI=1S/C32H40N4O4S/c37-29(24-15-7-2-8-16-24)34-27(21-23-13-5-1-6-14-23)30(38)35-28(22-41)31(39)36(26-19-11-4-12-20-26)32(40)33-25-17-9-3-10-18-25/h1-2,5-8,13-16,21,25-26,28,41H,3-4,9-12,17-20,22H2,(H,33,40)(H,34,37)(H,35,38)/b27-21+ |
| InChIKey | WFYCPDPQFJDEOL-SZXQPVLSSA-N |
| Mol Weight | 576.8 g/mol |
| Molecular Formula | C32H40N4O4S |
| Exact Mass | 576.277027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EZXvHiQDUmj |
|---|---|
| Name | N-{1-[Cyclohexyl(cyclohexylcarbamoyl)amino]-1-oxo-3-sulfanylpropan-2-yl}-3-phenyl-2-(phenylformamido)prop-2-enamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 576.277026954 u |
| Formula | C32H40N4O4S |
| InChI | InChI=1S/C32H40N4O4S/c37-29(24-15-7-2-8-16-24)34-27(21-23-13-5-1-6-14-23)30(38)35-28(22-41)31(39)36(26-19-11-4-12-20-26)32(40)33-25-17-9-3-10-18-25/h1-2,5-8,13-16,21,25-26,28,41H,3-4,9-12,17-20,22H2,(H,33,40)(H,34,37)(H,35,38)/b27-21+ |
| InChIKey | WFYCPDPQFJDEOL-SZXQPVLSSA-N |
| Molecular Weight | 576.756 g/mol |
| SMILES | C(N(C(C(NC(\C(NC(=O)C1=CC=CC=C1)=C/C1=CC=CC=C1)=O)CS)=O)C1CCCCC1)(NC1CCCCC1)=O |