YEV
Summary
| Name: | (2R)-2-(5-hydroxy-2-methyl-1H-indol-3-yl)-N-{(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl}propanamide |
| Formula: | C30 H33 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 511.615 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-(5-hydroxy-2-methyl-1H-indol-3-yl)-N-{(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl}propanamide |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-~{N}-[(1~{S})-1-[5-(2-methoxyquinolin-3-yl)-1~{H}-imidazol-2-yl]pentyl]-2-(2-methyl-5-oxidanyl-1~{H}-indol-3-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(NC(=O)C(C)c1c(nc2c1cc(O)cc2)C)(CCCC)c3nc(cn3)c4c(nc5c(c4)cccc5)OC |
| InChI | InChI | 1.03 | InChI=1S/C30H33N5O3/c1-5-6-10-25(34-29(37)17(2)27-18(3)32-24-13-12-20(36)15-21(24)27)28-31-16-26(33-28)22-14-19-9-7-8-11-23(19)35-30(22)38-4/h7-9,11-17,25,32,36H,5-6,10H2,1-4H3,(H,31,33)(H,34,37)/t17-,25+/m1/s1 |
| InChIKey | InChI | 1.03 | CZYALTGXIQQGCT-NSYGIPOTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@H](NC(=O)[C@H](C)c1c(C)[nH]c2ccc(O)cc12)c3[nH]c(cn3)c4cc5ccccc5nc4OC |
| SMILES | CACTVS | 3.385 | CCCC[CH](NC(=O)[CH](C)c1c(C)[nH]c2ccc(O)cc12)c3[nH]c(cn3)c4cc5ccccc5nc4OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)[C@H](C)c4c([nH]c5c4cc(cc5)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC(c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C(C)c4c([nH]c5c4cc(cc5)O)C |
