CHEBI:101173 - LSM-12542

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-12542
ChEBI ID CHEBI:101173
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H19F2N3O3
Net Charge 0
Average Mass 375.370
Monoisotopic Mass 375.13945
InChI InChI=1S/C19H19F2N3O3/c20-11-4-10(5-12(21)6-11)7-22-19(27)17-13(9-25)14-8-24-15(18(17)23-14)2-1-3-16(24)26/h1-6,13-14,17-18,23,25H,7-9H2,(H,22,27)/t13-,14-,17+,18+/m0/s1
InChIKey ZFBXTHNADMEDJT-LBTBCDHLSA-N
SMILES C1[C@H]2[C@@H]([C@H]([C@H](N2)C3=CC=CC(=O)N31)C(=O)NCC4=CC(=CC(=C4)F)F)CO
ChEBI Ontology
Outgoing LSM-12542 (CHEBI:101173) has functional parent β-amino acid (CHEBI:33706)
LSM-12542 (CHEBI:101173) is a organonitrogen compound (CHEBI:35352)
LSM-12542 (CHEBI:101173) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
LSM-12542 LINCS
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