EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H44N4O5 |
| Net Charge | 0 |
| Average Mass | 516.683 |
| Monoisotopic Mass | 516.33117 |
| SMILES | C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCN3CCOCC3)ccc2O[C@H]1CN(C)CC1CC1 |
| InChI | InChI=1S/C28H44N4O5/c1-20-16-32(21(2)19-33)28(35)15-23-14-24(29-27(34)8-9-31-10-12-36-13-11-31)6-7-25(23)37-26(20)18-30(3)17-22-4-5-22/h6-7,14,20-22,26,33H,4-5,8-13,15-19H2,1-3H3,(H,29,34)/t20-,21+,26+/m1/s1 |
| InChIKey | IFEBRFLUWXZZQL-SWYRRKHMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:124891) has functional parent β-amino acid (CHEBI:33706) |
| N-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:124891) is a organonitrogen compound (CHEBI:35352) |
| N-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide (CHEBI:124891) is a organooxygen compound (CHEBI:36963) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36333 | LINCS |