A1AH2
Summary
| Name: | 2-{6-methyl-2-oxo-4-[(2S)-2-phenylpropoxy]pyridin-1(2H)-yl}ethyl {[(3P)-3-(1H-imidazol-4-yl)phenyl]methyl}carbamate |
| Formula: | C28 H30 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 486.562 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{6-methyl-2-oxo-4-[(2S)-2-phenylpropoxy]pyridin-1(2H)-yl}ethyl {[(3P)-3-(1H-imidazol-4-yl)phenyl]methyl}carbamate |
| OpenEye OEToolkits | 2.0.7 | 2-[2-methyl-6-oxidanylidene-4-[(2~{S})-2-phenylpropoxy]pyridin-1-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-4-yl)phenyl]methyl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1=CC(=CC(=O)N1CCOC(=O)NCc1cccc(c1)c1c[NH]cn1)OCC(C)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C28H30N4O4/c1-20(23-8-4-3-5-9-23)18-36-25-13-21(2)32(27(33)15-25)11-12-35-28(34)30-16-22-7-6-10-24(14-22)26-17-29-19-31-26/h3-10,13-15,17,19-20H,11-12,16,18H2,1-2H3,(H,29,31)(H,30,34) |
| InChIKey | InChI | 1.06 | NINBOLDIDLZOHQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](COC1=CC(=O)N(CCOC(=O)NCc2cccc(c2)c3c[nH]cn3)C(=C1)C)c4ccccc4 |
| SMILES | CACTVS | 3.385 | C[CH](COC1=CC(=O)N(CCOC(=O)NCc2cccc(c2)c3c[nH]cn3)C(=C1)C)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC(=CC(=O)N1CCOC(=O)NCc2cccc(c2)c3c[nH]cn3)OC[C@@H](C)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(=CC(=O)N1CCOC(=O)NCc2cccc(c2)c3c[nH]cn3)OCC(C)c4ccccc4 |
