FR5
Summary
| Name: | 1-((1R)-1-(HYDROXYMETHYL)-3-(6-((3-(1-METHYL-1H-BENZIMIDAZOL-2-YL)PROPANOYL)AMINO)-1H-INDOL-1-YL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE |
| Synonyms: | FR235999 |
| Formula: | C27 H29 N7 O3 |
| Formal charge: | 0 |
| Formula weight: | 499.564 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-[(1R)-1-(hydroxymethyl)-3-(6-{[3-(1-methyl-1H-benzimidazol-2-yl)propanoyl]amino}-1H-indol-1-yl)propyl]-1H-imidazole-4-carboxamide |
| OpenEye OEToolkits | 1.5.0 | 1-[(2R)-1-hydroxy-4-[6-[3-(1-methylbenzimidazol-2-yl)propanoylamino]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)CCc4nc5ccccc5n4C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cn1c(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(c4)C(N)=O)c3c2)nc5ccccc15 |
| SMILES | CACTVS | 3.341 | Cn1c(CCC(=O)Nc2ccc3ccn(CC[CH](CO)n4cnc(c4)C(N)=O)c3c2)nc5ccccc15 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1c2ccccc2nc1CCC(=O)Nc3ccc4ccn(c4c3)CC[C@H](CO)n5cc(nc5)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cn1c2ccccc2nc1CCC(=O)Nc3ccc4ccn(c4c3)CCC(CO)n5cc(nc5)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C27H29N7O3/c1-32-23-5-3-2-4-21(23)31-25(32)8-9-26(36)30-19-7-6-18-10-12-33(24(18)14-19)13-11-20(16-35)34-15-22(27(28)37)29-17-34/h2-7,10,12,14-15,17,20,35H,8-9,11,13,16H2,1H3,(H2,28,37)(H,30,36)/t20-/m1/s1 |
| InChIKey | InChI | 1.03 | MBHAURHGCAJBCN-HXUWFJFHSA-N |
