RGD
Summary
| Name: | cyclobutyl[(2S,3aS,6aS)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5H-furo[2,3-c]pyrrol-5-yl]methanone |
| Formula: | C14 H23 N O4 |
| Formal charge: | 0 |
| Formula weight: | 269.337 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | cyclobutyl[(2S,3aS,6aS)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5H-furo[2,3-c]pyrrol-5-yl]methanone |
| OpenEye OEToolkits | 2.0.6 | [(2~{S},3~{a}~{S},6~{a}~{S})-6~{a}-(2-hydroxyethyl)-2-(hydroxymethyl)-3,3~{a},4,6-tetrahydro-2~{H}-furo[2,3-c]pyrrol-5-yl]-cyclobutyl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2(OC1(CCO)CN(CC1C2)C(C3CCC3)=O)CO |
| InChI | InChI | 1.03 | InChI=1S/C14H23NO4/c16-5-4-14-9-15(13(18)10-2-1-3-10)7-11(14)6-12(8-17)19-14/h10-12,16-17H,1-9H2/t11-,12-,14+/m0/s1 |
| InChIKey | InChI | 1.03 | LOAFEZNLOIOHIT-SGMGOOAPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC[C@@]12CN(C[C@@H]1C[C@@H](CO)O2)C(=O)C3CCC3 |
| SMILES | CACTVS | 3.385 | OCC[C]12CN(C[CH]1C[CH](CO)O2)C(=O)C3CCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CC(C1)C(=O)N2C[C@@H]3C[C@H](O[C@@]3(C2)CCO)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CC(C1)C(=O)N2CC3CC(OC3(C2)CCO)CO |
