GZ9
Summary
| Name: | (2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
| Formula: | C30 H41 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 523.664 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C30H41N3O5/c1-17-21-13-10-16-37-23(21)15-14-22(17)25-19(3)31-27(33-29(36)32-20-11-8-7-9-12-20)18(2)24(25)26(28(34)35)38-30(4,5)6/h14-15,20,26H,7-13,16H2,1-6H3,(H,34,35)(H2,31,32,33,36)/t26-/m0/s1 |
| InChIKey | InChI | 1.03 | ATDWVFXTYCESIG-SANMLTNESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(NC(=O)NC2CCCCC2)c(C)c([C@H](OC(C)(C)C)C(O)=O)c1c3ccc4OCCCc4c3C |
| SMILES | CACTVS | 3.385 | Cc1nc(NC(=O)NC2CCCCC2)c(C)c([CH](OC(C)(C)C)C(O)=O)c1c3ccc4OCCCc4c3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1CCCO2)c3c(nc(c(c3[C@@H](C(=O)O)OC(C)(C)C)C)NC(=O)NC4CCCCC4)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1CCCO2)c3c(nc(c(c3C(C(=O)O)OC(C)(C)C)C)NC(=O)NC4CCCCC4)C |
