EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C37H48N4O4 |
| Net Charge | 0 |
| Average Mass | 612.815 |
| Monoisotopic Mass | 612.36756 |
| SMILES | C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)NC3CCCCC3)ccc2O[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1 |
| InChI | InChI=1S/C37H48N4O4/c1-26-22-41(27(2)25-42)36(43)21-31-20-33(39-37(44)38-32-12-8-5-9-13-32)18-19-34(31)45-35(26)24-40(3)23-28-14-16-30(17-15-28)29-10-6-4-7-11-29/h4,6-7,10-11,14-20,26-27,32,35,42H,5,8-9,12-13,21-25H2,1-3H3,(H2,38,39,44)/t26-,27-,35+/m0/s1 |
| InChIKey | CMLTYIJXOZVOLL-PDTNBVABSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-cyclohexyl-3-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea (CHEBI:130561) is a biphenyls (CHEBI:22888) |
| Manual Xrefs | Databases |
|---|---|
| LSM-42110 | LINCS |