| SpectraBase Compound ID | 1PoKsTjZLed |
|---|---|
| InChI | InChI=1S/C29H38ClN5O3S.H2O/c30-24-15-17-26(18-16-24)39(37,38)34-28-27(29(36)32-20-9-19-31-25-13-5-2-6-14-25)33-22-35(28)21-8-7-12-23-10-3-1-4-11-23;/h1,3-4,10-11,15-18,22,25,31,34H,2,5-9,12-14,19-21H2,(H,32,36);1H2 |
| InChIKey | LXOFNHKBRKRKTN-UHFFFAOYSA-N |
| Mol Weight | 590.183 g/mol |
| Molecular Formula | C29H40ClN5O4S |
| Exact Mass | 589.248954 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2nY7lwcULY |
|---|---|
| Name | 5-(4-Chlorophenylsulfonylamino)-1-(4-phenylbutyl)-1H-imidazole-N-(3-cyclohexylamino-propyl)-4-carboxamide semihydrate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H40ClN5O4S |
| InChI | InChI=1S/C29H38ClN5O3S.H2O/c30-24-15-17-26(18-16-24)39(37,38)34-28-27(29(36)32-20-9-19-31-25-13-5-2-6-14-25)33-22-35(28)21-8-7-12-23-10-3-1-4-11-23;/h1,3-4,10-11,15-18,22,25,31,34H,2,5-9,12-14,19-21H2,(H,32,36);1H2 |
| InChIKey | LXOFNHKBRKRKTN-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/ardp.200500150 |
| Molecular Weight | 590.183 g/mol |
| SMILES | N(S(c1ccc(cc1)Cl)(=O)=O)c1[n](cnc1C(=O)NCCCNC1CCCCC1)CCCCc1ccccc1.O |
| SPLASH | splash10-000g-5965140000-4ae4956f08b5aac56634 |
| Source of Spectrum | APC-338-544-6d |
| Synonyms | 5-(4-Chlorophenylsulfonamido)-N-(3-(cyclohexylamino)propyl)-1-(4-phenylbutyl)-1H-imidazole-4-carboxamide hydrate |
| Wiley ID | 1768648 |