| SpectraBase Compound ID | 8MAtsDMSI79 |
|---|---|
| InChI | InChI=1S/C30H37ClN4O4/c1-30(2,3)39-29(38)34-24-18-32-25(21-10-6-4-7-11-21)26(27(36)33-23-12-8-5-9-13-23)35(28(24)37)19-20-14-16-22(31)17-15-20/h4,6-7,10-11,14-17,23-24,32H,5,8-9,12-13,18-19H2,1-3H3,(H,33,36)(H,34,38)/t24-/m0/s1 |
| InChIKey | KOUDCAYOPZVFLJ-DEOSSOPVSA-N |
| Mol Weight | 553.1 g/mol |
| Molecular Formula | C30H37ClN4O4 |
| Exact Mass | 552.250333 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GV953kI447I |
|---|---|
| Name | N-Cyclohexyl 4-(4-Chlorobenzyl)-2-(phenyl)-5-oxo-(S)-6-(tert-butoxycarbonylamino)-4,5,6,7-tetrahydro-1H-1,4-diazepine-3-carboxamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H37ClN4O4 |
| InChI | InChI=1S/C30H37ClN4O4/c1-30(2,3)39-29(38)34-24-18-32-25(21-10-6-4-7-11-21)26(27(36)33-23-12-8-5-9-13-23)35(28(24)37)19-20-14-16-22(31)17-15-20/h4,6-7,10-11,14-17,23-24,32H,5,8-9,12-13,18-19H2,1-3H3,(H,33,36)(H,34,38)/t24-/m0/s1 |
| InChIKey | KOUDCAYOPZVFLJ-DEOSSOPVSA-N |
| Molecular Weight | 553.103 g/mol |
| SMILES | N(C(OC(C)(C)C)=O)[C@@]1(C(N(C(=C(NC1)c1ccccc1)C(NC1CCCCC1)=O)Cc1ccc(cc1)Cl)=O)[H] |
| SPLASH | splash10-0fk9-0409060000-336e5a0aeaa85bfec00a |
| Source of Spectrum | F-66-6786-6c |
| Wiley ID | 1684241 |