EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C27H42F3N3O7S |
| Net Charge | 0 |
| Average Mass | 609.708 |
| Monoisotopic Mass | 609.26956 |
| SMILES | C[C@@H]1CCCCO[C@H](CN(C)C(=O)CCC(F)(F)F)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O1 |
| InChI | InChI=1S/C27H42F3N3O7S/c1-18-15-33(19(2)17-34)26(36)22-14-21(31-41(5,37)38)9-10-23(22)40-20(3)8-6-7-13-39-24(18)16-32(4)25(35)11-12-27(28,29)30/h9-10,14,18-20,24,31,34H,6-8,11-13,15-17H2,1-5H3/t18-,19-,20+,24+/m0/s1 |
| InChIKey | LBVOXJOHMPITGR-PWSZPPJVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4,4,4-trifluoro-N-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide (CHEBI:117677) is a azamacrocycle (CHEBI:52898) |
| 4,4,4-trifluoro-N-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide (CHEBI:117677) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-29126 | LINCS |