A1JES
Summary
| Name: | (2~{R},3~{S},6~{S})-2-(aminomethyl)-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol |
| Formula: | C16 H20 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 288.342 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S},6~{S})-2-(aminomethyl)-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H20N2O3/c17-10-16-14(19)7-6-13(20-16)8-12-9-15(21-18-12)11-4-2-1-3-5-11/h1-5,9,13-14,16,19H,6-8,10,17H2/t13-,14+,16-/m1/s1 |
| InChIKey | InChI | 1.06 | HXZCECCEJVDGJR-IJEWVQPXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@H]1O[C@@H](CC[C@@H]1O)Cc2cc(on2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | NC[CH]1O[CH](CC[CH]1O)Cc2cc(on2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc(no2)C[C@@H]3CC[C@@H]([C@H](O3)CN)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc(no2)CC3CCC(C(O3)CN)O |
