FVK
Summary
Name: | ~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide |
Formula: | C16 H25 N3 O5 |
Formal charge: | 0 |
Formula weight: | 339.387 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | ~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)/t14-/m0/s1 |
InChIKey | InChI | 1.03 | DXPOSRCHIDYWHW-AWEZNQCLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H](CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2 |
SMILES | CACTVS | 3.385 | O[CH](CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1O)OC[C@H](CNCCNC(=O)N2CCOCC2)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1O)OCC(CNCCNC(=O)N2CCOCC2)O |