UZK
Summary
| Name: | (2S)-1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide |
| Synonyms: | (2~{S})-1-[[(1~{R},5~{S})-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-~{N}-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide |
| Formula: | C22 H28 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 396.483 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-1-[[(1~{R},5~{S})-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-~{N}-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H28N4O3/c1-13-8-20(27)24-18-10-15(21(28)23-7-6-14-2-3-14)4-5-19(18)26(13)22(29)25-11-16-9-17(16)12-25/h4-5,10,13-14,16-17H,2-3,6-9,11-12H2,1H3,(H,23,28)(H,24,27)/t13-,16-,17+/m0/s1 |
| InChIKey | InChI | 1.03 | CKFRXCBNKKOFGO-RRQGHBQHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CC(=O)Nc2cc(ccc2N1C(=O)N3C[C@@H]4C[C@@H]4C3)C(=O)NCCC5CC5 |
| SMILES | CACTVS | 3.385 | C[CH]1CC(=O)Nc2cc(ccc2N1C(=O)N3C[CH]4C[CH]4C3)C(=O)NCCC5CC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CC(=O)Nc2cc(ccc2N1C(=O)N3C[C@H]4C[C@H]4C3)C(=O)NCCC5CC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC(=O)Nc2cc(ccc2N1C(=O)N3CC4CC4C3)C(=O)NCCC5CC5 |
