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CHEBI:44189 - (1R)-2-[(cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate
| Formula | C18H21F2N3O7S |
| Net Charge | 0 |
| Average Mass | 461.443 |
| Monoisotopic Mass | 461.10683 |
| SMILES | [H]c1c([H])c([H])c(C([H])([H])S(=O)(=O)C([H])([H])[C@]([H])(OC(=O)N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C(=O)N([H])C([H])([H])C#N)c(OC([H])(F)F)c1[H] |
| InChI | InChI=1S/C18H21F2N3O7S/c19-17(20)29-14-4-2-1-3-13(14)11-31(26,27)12-15(16(24)22-6-5-21)30-18(25)23-7-9-28-10-8-23/h1-4,15,17H,6-12H2,(H,22,24)/t15-/m0/s1 |
| InChIKey | YKWHKILAGONYKL-HNNXBMFYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (1R)-2-[(cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate (CHEBI:44189) is a carbamate ester (CHEBI:23003) |
| (1R)-2-[(cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate (CHEBI:44189) is a monocarboxylic acid amide (CHEBI:29347) |
| (1R)-2-[(cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate (CHEBI:44189) is a morpholines (CHEBI:38785) |
| (1R)-2-[(cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate (CHEBI:44189) is a nitrile (CHEBI:18379) |
| (1R)-2-[(cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate (CHEBI:44189) is a organofluorine compound (CHEBI:37143) |
| Synonyms | Source |
|---|---|
| (1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE | PDBeChem |
| (1R)-2-[(cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| MO9 | PDBeChem |