CHEBI:100497 - LSM-11871

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-11871
ChEBI ID CHEBI:100497
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H31N5O3
Net Charge 0
Average Mass 497.589
Monoisotopic Mass 497.24269
InChI InChI=1S/C29H31N5O3/c35-18-23-25-17-34-24(11-10-22(29(34)37)20-7-1-2-8-20)27(33(25)16-19-6-5-12-30-14-19)26(23)28(36)32-15-21-9-3-4-13-31-21/h3-7,9-14,23,25-27,35H,1-2,8,15-18H2,(H,32,36)/t23-,25-,26+,27+/m1/s1
InChIKey DPJGOJUVSBIVRD-ZDEZRRDYSA-N
SMILES C1CC=C(C1)C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4CC5=CN=CC=C5)CN3C2=O)CO)C(=O)NCC6=CC=CC=N6
ChEBI Ontology
Outgoing LSM-11871 (CHEBI:100497) is a pyrrolidinecarboxamide (CHEBI:46770)
Manual Xref Database
LSM-11871 LINCS
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