897
Summary
| Name: | N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-N-ISOPROPYL-3-METHYL-5-{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE |
| Formula: | C26 H38 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 454.605 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[3-(tert-butylamino)-3-oxopropyl]-3-methyl-N-(1-methylethyl)-5-{[(2S)-2-(pyridin-4-ylamino)propyl]oxy}benzamide |
| OpenEye OEToolkits | 1.5.0 | N-[3-(tert-butylamino)-3-oxo-propyl]-3-methyl-N-propan-2-yl-5-[(2S)-2-(pyridin-4-ylamino)propoxy]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C)(C)C)CCN(C(=O)c2cc(OCC(Nc1ccncc1)C)cc(c2)C)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](COc1cc(C)cc(c1)C(=O)N(CCC(=O)NC(C)(C)C)C(C)C)Nc2ccncc2 |
| SMILES | CACTVS | 3.341 | C[CH](COc1cc(C)cc(c1)C(=O)N(CCC(=O)NC(C)(C)C)C(C)C)Nc2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1)OC[C@H](C)Nc2ccncc2)C(=O)N(CCC(=O)NC(C)(C)C)C(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1)OCC(C)Nc2ccncc2)C(=O)N(CCC(=O)NC(C)(C)C)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C26H38N4O3/c1-18(2)30(13-10-24(31)29-26(5,6)7)25(32)21-14-19(3)15-23(16-21)33-17-20(4)28-22-8-11-27-12-9-22/h8-9,11-12,14-16,18,20H,10,13,17H2,1-7H3,(H,27,28)(H,29,31)/t20-/m0/s1 |
| InChIKey | InChI | 1.03 | VAFVRMZHAGPYIT-FQEVSTJZSA-N |
