EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C29H44N4O6 |
| Net Charge | 0 |
| Average Mass | 544.693 |
| Monoisotopic Mass | 544.32609 |
| SMILES | C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)C3CCOCC3)c2O[C@@H]1CN(C)C(=O)NC1CCCCC1 |
| InChI | InChI=1S/C29H44N4O6/c1-19-16-33(20(2)18-34)28(36)23-10-7-11-24(31-27(35)21-12-14-38-15-13-21)26(23)39-25(19)17-32(3)29(37)30-22-8-5-4-6-9-22/h7,10-11,19-22,25,34H,4-6,8-9,12-18H2,1-3H3,(H,30,37)(H,31,35)/t19-,20-,25-/m1/s1 |
| InChIKey | YTYKLMHRHBYYNG-UMEGOILYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide (CHEBI:124877) is a aromatic amide (CHEBI:62733) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36319 | LINCS |