H98
Summary
| Name: | ~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide |
| Formula: | C19 H24 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 344.405 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1 |
| InChIKey | InChI | 1.03 | BPZSYCZIITTYBL-YJYMSZOUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(C[CH](C)NC[CH](O)c2ccc(O)c(NC=O)c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c(c2)NC=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(Cc1ccc(cc1)OC)NCC(c2ccc(c(c2)NC=O)O)O |
