518
Summary
| Name: | N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide |
| Formula: | C29 H29 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 499.558 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide |
| OpenEye OEToolkits | 1.6.1 | N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]furan-2-yl]phenyl]-1-benzofuran-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(c4oc(c3ccc(NC(=O)c1oc2ccccc2c1)cc3)cc4)NC(C(=O)NC)C5CCCCC5 |
| SMILES_CANONICAL | CACTVS | 3.352 | CNC(=O)[C@@H](NC(=O)c1oc(cc1)c2ccc(NC(=O)c3oc4ccccc4c3)cc2)C5CCCCC5 |
| SMILES | CACTVS | 3.352 | CNC(=O)[CH](NC(=O)c1oc(cc1)c2ccc(NC(=O)c3oc4ccccc4c3)cc2)C5CCCCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CNC(=O)[C@H](C1CCCCC1)NC(=O)c2ccc(o2)c3ccc(cc3)NC(=O)c4cc5ccccc5o4 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CNC(=O)C(C1CCCCC1)NC(=O)c2ccc(o2)c3ccc(cc3)NC(=O)c4cc5ccccc5o4 |
| InChI | InChI | 1.03 | InChI=1S/C29H29N3O5/c1-30-29(35)26(19-7-3-2-4-8-19)32-27(33)24-16-15-23(36-24)18-11-13-21(14-12-18)31-28(34)25-17-20-9-5-6-10-22(20)37-25/h5-6,9-17,19,26H,2-4,7-8H2,1H3,(H,30,35)(H,31,34)(H,32,33)/t26-/m0/s1 |
| InChIKey | InChI | 1.03 | JFDVHGPZDKQUGQ-SANMLTNESA-N |
