FR9
Summary
| Name: | 1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}-1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]-1H-IMIDAZOLE-4-CARBOXAMIDE |
| Synonyms: | FR236913 |
| Formula: | C24 H26 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 446.502 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-[(1R)-3-{6-[(benzylcarbamoyl)amino]-1H-indol-1-yl}-1-(hydroxymethyl)propyl]-1H-imidazole-4-carboxamide |
| OpenEye OEToolkits | 1.5.0 | 1-[(2R)-1-hydroxy-4-[6-(phenylmethylcarbamoylamino)indol-1-yl]butan-2-yl]imidazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)c1ncn(c1)C(CO)CCn3c2cc(ccc2cc3)NC(=O)NCc4ccccc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)c1cn(cn1)[C@@H](CO)CCn2ccc3ccc(NC(=O)NCc4ccccc4)cc23 |
| SMILES | CACTVS | 3.341 | NC(=O)c1cn(cn1)[CH](CO)CCn2ccc3ccc(NC(=O)NCc4ccccc4)cc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CNC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CNC(=O)Nc2ccc3ccn(c3c2)CCC(CO)n4cc(nc4)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C24H26N6O3/c25-23(32)21-14-30(16-27-21)20(15-31)9-11-29-10-8-18-6-7-19(12-22(18)29)28-24(33)26-13-17-4-2-1-3-5-17/h1-8,10,12,14,16,20,31H,9,11,13,15H2,(H2,25,32)(H2,26,28,33)/t20-/m1/s1 |
| InChIKey | InChI | 1.03 | KCCUBLLGAMGDJL-HXUWFJFHSA-N |
