GNF
Summary
| Name: | N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE |
| Formula: | C25 H32 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 436.547 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N~2~-1,3-benzoxazol-2-yl-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-L-alaninamide |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[2-[(4-methoxyphenyl)amino]ethyl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCCNc1ccc(OC)cc1)C(Nc2nc3ccccc3o2)CC4CCCCC4 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)Nc3oc4ccccc4n3)cc1 |
| SMILES | CACTVS | 3.341 | COc1ccc(NCCNC(=O)[CH](CC2CCCCC2)Nc3oc4ccccc4n3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)NCCNC(=O)[C@H](CC2CCCCC2)Nc3nc4ccccc4o3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)NCCNC(=O)C(CC2CCCCC2)Nc3nc4ccccc4o3 |
| InChI | InChI | 1.03 | InChI=1S/C25H32N4O3/c1-31-20-13-11-19(12-14-20)26-15-16-27-24(30)22(17-18-7-3-2-4-8-18)29-25-28-21-9-5-6-10-23(21)32-25/h5-6,9-14,18,22,26H,2-4,7-8,15-17H2,1H3,(H,27,30)(H,28,29)/t22-/m0/s1 |
| InChIKey | InChI | 1.03 | VFNWTXUFNNOQHD-QFIPXVFZSA-N |
