CHEBI:130227 - LSM-41776

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-41776
ChEBI ID CHEBI:130227
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H28N2O4S
Net Charge 0
Average Mass 404.525
Monoisotopic Mass 404.17698
InChI InChI=1S/C21H28N2O4S/c1-3-4-15-7-9-17(10-8-15)20-18(12-24)23(19(25)11-16-5-6-16)21(20)13-22(14-21)28(2,26)27/h3-4,7-10,16,18,20,24H,5-6,11-14H2,1-2H3/t18-,20-/m1/s1
InChIKey YXGWNASAQRCDCX-UYAOXDASSA-N
SMILES CC=CC1=CC=C(C=C1)[C@@H]2[C@H](N(C23CN(C3)S(=O)(=O)C)C(=O)CC4CC4)CO
ChEBI Ontology
Outgoing LSM-41776 (CHEBI:130227) is a azetidines (CHEBI:38777)
LSM-41776 (CHEBI:130227) is a benzenes (CHEBI:22712)
LSM-41776 (CHEBI:130227) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-41776 LINCS
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