CHEBI:100843 - LSM-12217

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ChEBI Name LSM-12217 ChEBI ID CHEBI:100843 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H28FN3O3 Net Charge 0 Average Mass 437.507 Monoisotopic Mass 437.21147 InChI InChI=1S/C25H28FN3O3/c26-17-8-6-15(7-9-17)12-27-24(31)22-19(14-30)20-13-29-21(23(22)28-20)11-10-18(25(29)32)16-4-2-1-3-5-16/h4,6-11,19-20,22-23,28,30H,1-3,5,12-14H2,(H,27,31)/t19-,20-,22+,23+/m1/s1 InChIKey NDSDOOPKNRYURC-SCPDWHHUSA-N SMILES C1CCC(=CC1)C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4)CN3C2=O)CO)C(=O)NCC5=CC=C(C=C5)F ChEBI Ontology Outgoing LSM-12217 (CHEBI:100843) has functional parent β-amino acid (CHEBI:33706) LSM-12217 (CHEBI:100843) is a organonitrogen compound (CHEBI:35352) LSM-12217 (CHEBI:100843) is a organooxygen compound (CHEBI:36963) Manual Xref Database LSM-12217 LINCS View more database links